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100781-94-0 | 2-Propenethioamide, 2-cyano-3-(phenylamino)-
CAS No: 100781-94-0 Catalog No: AG0002V4 MDL No:
Product Description
Catalog Number:
AG0002V4
Chemical Name:
2-Propenethioamide, 2-cyano-3-(phenylamino)-
CAS Number:
100781-94-0
Molecular Formula:
C10H9N3S
Molecular Weight:
203.2636
IUPAC Name:
3-anilino-2-cyanoprop-2-enethioamide
InChI:
InChI=1S/C10H9N3S/c11-6-8(10(12)14)7-13-9-4-2-1-3-5-9/h1-5,7,13H,(H2,12,14)
InChI Key:
GJYKMQRTLXCKRQ-UHFFFAOYSA-N
SMILES:
N#CC(=CNc1ccccc1)C(=S)N
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.263g/mol
Monoisotopic Mass:
203.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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