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89521-96-0 | Hydrazinecarbothioamide, 1-(3-chlorophenyl)-
CAS No: 89521-96-0 Catalog No: AG004080 MDL No:
Product Description
Catalog Number:
AG004080
Chemical Name:
Hydrazinecarbothioamide, 1-(3-chlorophenyl)-
CAS Number:
89521-96-0
Molecular Formula:
C7H8ClN3S
Molecular Weight:
201.6765
IUPAC Name:
1-amino-1-(3-chlorophenyl)thiourea
InChI:
InChI=1S/C7H8ClN3S/c8-5-2-1-3-6(4-5)11(10)7(9)12/h1-4H,10H2,(H2,9,12)
InChI Key:
LNWGUQPSYHDQJH-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N(C(=S)N)N
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.672g/mol
Monoisotopic Mass:
201.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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