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113575-77-2 | Hydrazinecarbothioamide, 2-(4-chlorophenyl)-N-(2-methyl-2-propen-1-yl)-
CAS No: 113575-77-2 Catalog No: AG00091F MDL No:
Product Description
Catalog Number:
AG00091F
Chemical Name:
Hydrazinecarbothioamide, 2-(4-chlorophenyl)-N-(2-methyl-2-propen-1-yl)-
CAS Number:
113575-77-2
Molecular Formula:
C11H14ClN3S
Molecular Weight:
255.7670
IUPAC Name:
1-(4-chloroanilino)-3-(2-methylprop-2-enyl)thiourea
InChI:
InChI=1S/C11H14ClN3S/c1-8(2)7-13-11(16)15-14-10-5-3-9(12)4-6-10/h3-6,14H,1,7H2,2H3,(H2,13,15,16)
InChI Key:
GPZVZEHSDLNELV-UHFFFAOYSA-N
SMILES:
CC(=C)CNC(=S)NNc1ccc(cc1)Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.764g/mol
Monoisotopic Mass:
255.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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