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Substance Name: Thietane
RN: 287-27-4
UNII: 1O7C19QQDB
InChIKey: XSROQCDVUIHRSI-UHFFFAOYSA-N

Molecular Formula

  • C3-H6-S

Molecular Weight

  • 74.1464
 
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Names and Synonyms

Name of Substance

  • Thietane

Synonyms

  • EINECS 206-015-0
  • NSC 56443
  • Propane, 1,3-epithio-
  • Thiacyclobutane
  • UNII-1O7C19QQDB

Systematic Names

  • Thietane
  • Trimethylene sulfide (8CI)

Registry Numbers

CAS Registry Number

  • 287-27-4

FDA UNII

  • 1O7C19QQDB

System Generated Number

  • 0000287274

Structure Descriptors

InChI

1S/C3H6S/c1-2-4-3-1/h1-3H2

InChIKey

XSROQCDVUIHRSI-UHFFFAOYSA-N

Smiles

C1CSC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.32E+01 deg C   EXP
Boiling Point 95 deg C   EXP
log P (octanol-water) 1.300 (none)   EST
Water Solubility 1.04E+04 mg/L 25 EST
Vapor Pressure 52.7 mm Hg 25 EXP
Henry's Law Constant 4.60E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.11E-12 cm3/molecule-sec 25 EST

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