Bis(methylthio)methane - CAS 1618-26-4

Catalog:	BB011787
Product Name:	Bis(methylthio)methane
CAS:	1618-26-4
Synonyms:	bis(methylsulfanyl)methane

Technical Data

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Computed Properties

IUPAC Name:	bis(methylsulfanyl)methane
Description:	Bis(methylthio)methane (CAS# 1618-26-4) is used in method for reducing odor in room in remodeling work by removing causative substances.
Molecular Weight:	108.23
Molecular Formula:	C3H8S2
Canonical SMILES:	CSCSC
InChI:	InChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3
InChI Key:	LOCDPORVFVOGCR-UHFFFAOYSA-N
Boiling Point:	147 ℃
Density:	1.059 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00008564
LogP:	1.66990

Publication Number	Title	Priority Date
JP-2021134360-A	Bleed prevention primer, bleed prevention structure using bleed prevention primer and its prevention method	20200226
JP-2021106518-A	A freshly scented or enhancer, a food or drink or seasoning containing the freshly scented or enhancer, and a method for producing the food or drink or seasoning.	20191227
WO-2020260725-A1	Transmucosal therapeutic system containing agomelatine	20191220
WO-2020260726-A1	Transmucosal therapeutic system containing agomelatine	20191220
WO-2021028928-A1	System and method for determining onset and disease progression	20190813

PMID	Publication Date	Title	Journal
22746696	20120802	Molecular conformations and the liquid structure in bis(methylthio)methane and diethyl sulfide: diffraction experiments vs molecular dynamics simulations	The journal of physical chemistry. B
22925852	20120101	Odour emission ability (OEA) and its application in assessing odour removal efficiency	Water science and technology : a journal of the International Association on Water Pollution Research
22063956	20090101	Irradiation effects on meat flavor: A review	Meat science
18366159	20080421	Gold(I)-dithioether supramolecular polymers: synthesis, characterization, and luminescence	Inorganic chemistry
17361998	20070416	One-dimensional coordination polymers incorporating silver(I) perfluorocarboxylate cuboctahedral clusters and the bis(methylthio)methane ligand	Inorganic chemistry

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GHS Hazard Statement:	H226 (11.86%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	12.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.00674260
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	108.00674260
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6