1,2-Benzenedimethanethiol

CAT: 0127-BI7568-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-BI7568-01Size:250 mg

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CAS Number

41383-84-0

Synonyms

1,2-BDMT

MDL Number

MFCD00010017

Purity

95%

Smiles

SCc1ccccc1CS

Chemical Information

1,2-Benzenedimethanethiol

CAS Number	41383-84-0
PubChem CID	181695
IUPAC Name	[2-(sulfanylmethyl)phenyl]methanethiol
Molecular Formula	C8H10S2
Molecular Weight	170.3
XLogP	2.1
Topological Polar Surface Area	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	81

SMILES

C1=CC=C(C(=C1)CS)CS

InChI

InChI=1S/C8H10S2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H2

InChIKey

NNJWFWSBENPGEY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41383-84-0

CID: 181695

Formula: C8H10S2

MW: 170.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.3
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.02239267
Monoisotopic Mass	170.02239267
Topological Polar Surface Area	2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	81.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BI7567-01	1,3-Benzenedimethanethiol
BI7566-01	1,4-Benzenedimethanethiol
OR96366-01	1,1,1,2,2,2-Hexaphenyldisilane
OR1052394-01	[1,1':2',1'':2'',1'''-Quaterphenyl]-2-amine
OR1020893	1,1,2,2-Tetramethyl ethane-1,1,2,2-tetracarboxylate
PC8729	1-Bromo-1,1,2,2-tetrafluoro-2- (1,2,2,2-tetrafluoroethoxy) ethane
PC450236-01	1,2- (1,1,2,2-Tetrafluoroethoxy) ethane
OR1028495	1,2-Dimethyl-1,1,2,2-Tetraphenyldisilane
OR310288-01	1,1,2,2-Tetramethyl-1,2-diphenyldisilane
DE4002	1-Iodoethane-1,1,2,2,2-D5

Catalog	Name
sc-222783	1,2-Benzenedimethanethiol
sc-223009A	1,4-Benzenedimethanethiol
267239-01	1,3-Benzenedimethanethiol
RG-E141219-01	1,1,2,2-Tetraethyl 1,1,2,2-ethanetetracarboxylate
RG-E140468-01	1,1,1,2,2,2-hexamethyldisilane
JH432361	1,1,1,2-tetrafluoro-2- (1,2,2,2-tetrafluoroethoxy) ethane
JH920110	[1,1′:2′,1′′:2′′,1′′′-Quaterphenyl]-2-amine
JH918341	2-bromo-1,1':2',1'':2'',1'''-quaterphenyl
sc-356265	1,1,2,2-Tetraphenyl-1,2-ethanediol
sc-222842	1,2-Dimethyl-1,1,2,2-tetraphenyldisilane