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Home > Indoles and Oxindole > 885272-40-2
885272-40-2 | 1H-Indole-4-carbothioamide
CAS No: 885272-40-2 Catalog No: AG004840 MDL No:MFCD06738972
Product Description
Catalog Number:
AG004840
Chemical Name:
1H-Indole-4-carbothioamide
CAS Number:
885272-40-2
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
MDL Number:
MFCD06738972
IUPAC Name:
1H-indole-4-carbothioamide
InChI:
InChI=1S/C9H8N2S/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
InChI Key:
REPRZHLDHBWJIJ-UHFFFAOYSA-N
SMILES:
NC(=S)c1cccc2c1cc[nH]2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.237g/mol
Monoisotopic Mass:
176.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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