Trimethylene sulfide - CAS 287-27-4

Catalog:	BB019929
Product Name:	Trimethylene sulfide
CAS:	287-27-4
Synonyms:	thietane

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Computed Properties

IUPAC Name:	thietane
Description:	Trimethylene sulfide (CAS# 287-27-4) is a useful research chemical.
Molecular Weight:	74.14
Molecular Formula:	C3H6S
Canonical SMILES:	C1CSC1
InChI:	InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2
InChI Key:	XSROQCDVUIHRSI-UHFFFAOYSA-N
Boiling Point:	94.9 °C at 760 mmHg
Purity:	> 98.0 % (GC)
Density:	1.02 g/cm³
Appearance:	Clear colourless liquid
LogP:	1.12330

Publication Number	Title	Priority Date
CN-113462200-A	Amino polymerization-resistant modified heat-conducting particle and preparation method thereof	20210701
CN-113372248-A	Process for preparing thiols	20210611
CN-113290852-A	Three-dimensional object forming method and device, storage medium and computer equipment	20210521
CN-113307750-A	Process for producing aliphatic mercaptan	20201231
CN-113307751-A	Process for producing aliphatic mercaptan	20201231

PMID	Publication Date	Title	Journal
22889134	20121015	Chemoassay screening of DNA-reactive mutagenicity with 4-(4-nitrobenzyl)pyridine\u2009-\u2009application to epoxides, oxetanes, and sulfur heterocycles	Chemical research in toxicology
21561127	20110602	DFT study on the cycloreversion of thietane radical cations	The journal of physical chemistry. A
20337433	20100416	Photoinduced electron-transfer cycloreversion of thietanes: the role of ion-molecule complexes	Organic letters
19830301	20091107	Is nucleophilic cleavage chemistry practical for 4-membered heterocycles?	Organic & biomolecular chemistry
19672527	20090907	Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion	Physical chemistry chemical physics : PCCP

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]; H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	17.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	74.01902136
Formal Charge:	0
Heavy Atom Count:	4
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	74.01902136
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1