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1,3,5-Benzenetrithiol

Catalog Number
ACM38004590
Product Name
1,3,5-Benzenetrithiol
Structure
CAS
38004-59-0
Category
Monomers
Synonyms
1,3,5-BENZENETRITHIOL;1,3,5-TRIMERCAPTOBENZENE;1,3,5-Benzenetristhiol;1,3,5-Benzenetrithiole
IUPAC Name
benzene-1,3,5-trithiol
Molecular Weight
174.3g/mol
Molecular Formula
C6H6S3
Canonical SMILES
C1=C(C=C(C=C1S)S)S
InChI
InChI=1S/C6H6S3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
InChI Key
KXCKKUIJCYNZAE-UHFFFAOYSA-N
Melting Point
60°C
Complexity
63.3
Covalently-Bonded Unit Count
1
Exact Mass
173.963164g/mol
Formal Charge
0
Heavy Atom Count
9
Monoisotopic Mass
173.963164g/mol
Rotatable Bond Count
0
XLogP3
2.4
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