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Substance Name: Molinate [BSI:ISO]
RN: 2212-67-1
UNII: 68N5G08DJQ
InChIKey: DEDOPGXGGQYYMW-UHFFFAOYSA-N

Note

  • Russian drug.

Molecular Formula

  • C9-H17-N-O-S

Molecular Weight

  • 187.305
 

Classification Codes

  • Agricultural Chemical
  • Antispermatogenic Agents
  • Contraceptive Agents
  • Contraceptive Agents, Male
  • Herbicide
  • Herbicides
  • Mutation Data
  • Noxae
  • Pesticides
  • Reproductive Control Agents
  • Reproductive Effect

Names and Synonyms

Results Name

  • Molinate [BSI:ISO]

Name of Substance

  • Molinate
  • Molinate [BSI:ISO]

Synonyms

  • 5-20-04-00034 (Beilstein Handbook Reference)
  • BRN 1239196
  • Caswell No. 444
  • CCRIS 8083
  • EINECS 218-661-0
  • EPA Pesticide Chemical Code 041402
  • Ethyl 1-hexamethyleneiminecarbothiolate
  • Felan
  • Higalnate
  • HSDB 873
  • Hydram
  • Jalan
  • Malerbane Giavoni L
  • Molinate
  • Molinate estrella
  • Molmate
  • Ordram
  • Perhydroazepin-1-carbothioate
  • R 4572
  • R-4572
  • S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat
  • S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat [German]
  • S-Ethyl 1-hexamethyleneiminothiocarbamate
  • S-Ethyl azepane-1-carbothioate
  • S-Ethyl hexahydro-1H-azepine-1-carbothioate
  • S-Ethyl hexahydroazepine-1-carbothioate
  • S-Ethyl N,N-hexamethylenethiocarbamate
  • S-Ethyl perhydroazepin-1-carbothioate
  • S-Ethyl perhydroazepine-1-thiocarboxylate
  • S-Ethyl-N,N-hexamethylenethiocarbamate
  • S-Ethyl-N-hexamethylenethiocarbamate
  • Sakkimol
  • SC 998
  • Stauffer R-4,572
  • UNII-68N5G08DJQ
  • Yalan
  • Yulan

Systematic Names

  • 1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester
  • Molinate
  • S-Ethyl hexahydro-1H-azepine-1-carbothioate

Superlist Names

  • 1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester
  • Molinate
  • S-Ethyl hexahydro-1H-azepine-1-carbothioate

Registry Numbers

CAS Registry Number

  • 2212-67-1

FDA UNII

  • 68N5G08DJQ

System Generated Number

  • 0002212671

Structure Descriptors

InChI

1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3

InChIKey

DEDOPGXGGQYYMW-UHFFFAOYSA-N

Smiles

N1(C(SCC)=O)CCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LC50 inhalation > 200mg/m3 (200mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(8), Pg. 35, 1970.
mammal (species unspecified) LD50 unreported 720mg/kg (720mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(5), Pg. 29, 1980.
mouse LD50 oral 530mg/kg (530mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

SENSE ORGANS AND SPECIAL SENSES: CHANGES IN EXTRA-OCULAR MUSCLES: EYE
Vrachebnoe Delo. Medical Practice. Vol. (1), Pg. 119, 1969.
mouse LD50 unreported 545mg/kg (545mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(10), Pg. 104, 1975.
mouse LD50 unreported 545mg/kg (545mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(10), Pg. 104, 1975.
rabbit LD50 skin 3536mg/kg (3536mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C208, 1991.
rat LC50 inhalation 2100mg/m3/1H (2100mg/m3)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A282, Pg. 1983,
rat LD50 oral 369mg/kg (369mg/kg)   Pesticide Manual. Vol. 9, Pg. 594, 1991.
rat LD50 skin 1167mg/kg (1167mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(8), Pg. 35, 1970.
rat LD50 unreported 657mg/kg (657mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(10), Pg. 104, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 3.21 (none)   EXP
Water Solubility 970 mg/L 25 EXP
Vapor Pressure 0.0056 mm Hg 25 EXP
Henry's Law Constant 4.10E-06 atm-m3/mole 20 EXP
Atmospheric OH Rate Constant 3.01E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.