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15899-69-1 | Hydrazinecarbothioamide, 2-(3-methyl-2-oxocyclopentylidene)-
CAS No: 15899-69-1 Catalog No: AG001R33 MDL No:
Product Description
Catalog Number:
AG001R33
Chemical Name:
Hydrazinecarbothioamide, 2-(3-methyl-2-oxocyclopentylidene)-
CAS Number:
15899-69-1
Molecular Formula:
C7H11N3OS
Molecular Weight:
185.2467
IUPAC Name:
[(3-methyl-2-oxocyclopentylidene)amino]thiourea
InChI:
InChI=1S/C7H11N3OS/c1-4-2-3-5(6(4)11)9-10-7(8)12/h4H,2-3H2,1H3,(H3,8,10,12)
InChI Key:
FXHISUHIJRBFRI-UHFFFAOYSA-N
SMILES:
CC1CCC(=NNC(=S)N)C1=O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.062g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.245g/mol
Monoisotopic Mass:
185.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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