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90070-09-0 | 1H-Thieno[3,4-d]imidazole-2(3H)-thione
CAS No: 90070-09-0 Catalog No: AG006K5B MDL No:
Product Description
Catalog Number:
AG006K5B
Chemical Name:
1H-Thieno[3,4-d]imidazole-2(3H)-thione
CAS Number:
90070-09-0
Molecular Formula:
C5H4N2S2
Molecular Weight:
156.2287
IUPAC Name:
1,3-dihydrothieno[3,4-d]imidazole-2-thione
InChI:
InChI=1S/C5H4N2S2/c8-5-6-3-1-9-2-4(3)7-5/h1-2H,(H2,6,7,8)
InChI Key:
JITVQETUYJVBKJ-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2c([nH]1)csc2
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.982g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.221g/mol
Monoisotopic Mass:
155.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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