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1,2-Benzenedithiol (>85%)

CAT: 0572-TRC-B130450-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B130450-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17534-15-5
Synonyms
1,2-Dimercaptobenzene; Dithiopyrocatechol; NSC 623558; Phenylene-1,2-dithiol;o-Dimercaptobenzene;
Hazard Statement
Harmful if swallowed.
Smiles
Sc1ccccc1S
Molecular Formula
C6H6S2
Molecular Weight
142.24
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1,2-Benzenedithiol

structure in first source

CAS Number17534-15-5
PubChem CID69370
IUPAC Namebenzene-1,2-dithiol
Molecular FormulaC6H6S2
Molecular Weight142.2
XLogP2.2
Topological Polar Surface Area2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity62
SMILES
C1=CC=C(C(=C1)S)S
InChI
InChI=1S/C6H6S2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKey
JRNVQLOKVMWBFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Benzenedithiol
CAS: 17534-15-5
CID: 69370
Formula: C6H6S2
MW: 142.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.2
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass141.99109254
Monoisotopic Mass141.99109254
Topological Polar Surface Area2 Ų
Heavy Atom Count8
Formal Charge0
Complexity62.9
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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