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63071-71-6 | 1H-Iodole-2-carbothioamide
CAS No: 63071-71-6 Catalog No: AG00EE7U MDL No:MFCD05662471
Product Description
Catalog Number:
AG00EE7U
Chemical Name:
1H-Iodole-2-carbothioamide
CAS Number:
63071-71-6
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
MDL Number:
MFCD05662471
IUPAC Name:
1H-indole-2-carbothioamide
InChI:
InChI=1S/C9H8N2S/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H2,10,12)
InChI Key:
JFLPYJVQUCPMJT-UHFFFAOYSA-N
SMILES:
NC(=S)c1cc2c([nH]1)cccc2
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:
2.3
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