C1=CC=C2C(=C1)C=C(S2)S
CAS: 30214-04-1
Name: 1-benzothiophene-2-thiol
SMILES: C1=CC=C2C(=C1)C=C(S2)S

Molecular Processing

Molecular formula
C8H6S2
Molecular weight
166.27
Exact mass
165.9911
XLogP
3.19
TPSA
0
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
49.08

Supplementary Information

InChIKey: DODWVZSLOOEOKB-UHFFFAOYSA-N
Synonyme
Benzo[b]thiophene-2-thiol1-BENZOTHIOPHENE-2-THIOL30214-04-12-benzothiophenethiol2-mercaptobenzothiophene2-mercaptobenzo[b]thiopheneSCHEMBL329714SCHEMBL329715DTXSID50454190DODWVZSLOOEOKB-UHFFFAOYSA-NEN300-1829948
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