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Substance Name: Benzene, (propylthio)- (9CI)
RN: 874-79-3
InChIKey: NWYDLOBJQIJDGH-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-S

Molecular Weight

  • 152.26
 
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Names and Synonyms

Synonyms

  • (1-Thiabutyl)benzene
  • (Propylthio)benzene
  • 4-06-00-01470 (Beilstein Handbook Reference)
  • BRN 1857536
  • Fenyl-propylsulfid
  • Fenyl-propylsulfid [Czech]
  • n-Propyl phenyl sulfide
  • NSC 115079
  • Phenyl propyl sulfide
  • Propyl phenyl sulfide

Systematic Names

  • Benzene, (propylthio)- (9CI)
  • Sulfide, phenyl propyl

Registry Numbers

CAS Registry Number

  • 874-79-3

System Generated Number

  • 0000874793

Structure Descriptors

InChI

1S/C9H12S/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey

NWYDLOBJQIJDGH-UHFFFAOYSA-N

Smiles

c1(ccccc1)SCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 10gm/m3/2H (10000mg/m3)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 993, 1986.
mouse LD50 oral 1800mg/kg (1800mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 993, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.50E+01 deg C   EXP
Boiling Point 220 deg C   EXP
log P (octanol-water) 3.580 (none)   EST
Atmospheric OH Rate Constant 2.28E-11 cm3/molecule-sec 25 EST

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