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Toluene-3,4-dithiol

CAT: 0926-FT61258-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FT61258-01Size:10 g
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CAS Number
496-74-2
Synonyms
Dithiol
MDL Number
MFCD00004844
Smiles
CC1=CC (=C (C=C1) S) S
Molecular Formula
C7H8S2
Molecular Weight
156.27 g/mol
Controlled
No

Chemical Information

Toluene-3,4-dithiol

structure

CAS Number496-74-2
PubChem CID10334
IUPAC Name4-methylbenzene-1,2-dithiol
Molecular FormulaC7H8S2
Molecular Weight156.3
XLogP2.6
Topological Polar Surface Area2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity92
SMILES
CC1=CC(=C(C=C1)S)S
InChI
InChI=1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
InChIKey
NIAAGQAEVGMHPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Toluene-3,4-dithiol
CAS: 496-74-2
CID: 10334
Formula: C7H8S2
MW: 156.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.3
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass156.00674260
Monoisotopic Mass156.00674260
Topological Polar Surface Area2 Ų
Heavy Atom Count9
Formal Charge0
Complexity92.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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291786-01Toluene-3,4-dithiol
661515Toluene -3,4-Dithiol Zinc Derivative AR
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