Home Halogens Carbamimidothioic acid, N-[(4-chlorophenyl)methyl]-, 3-(1H-imidazol-5-yl)propyl ester

Carbamimidothioic acid, N-[(4-chlorophenyl)methyl]-, 3-(1H-imidazol-5-yl)propyl ester

CAS No.:
145231-45-4
Catalog Number:
AG001KP1
Molecular Formula:
C14H17ClN4S
Molecular Weight:
308.8296
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Purity
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Product Description
Catalog Number:
AG001KP1
Chemical Name:
Carbamimidothioic acid, N-[(4-chlorophenyl)methyl]-, 3-(1H-imidazol-5-yl)propyl ester
CAS Number:
145231-45-4
Molecular Formula:
C14H17ClN4S
Molecular Weight:
308.8296
MDL Number:
MFCD00467655
IUPAC Name:
3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate
InChI:
InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
InChI Key:
UCAIEVHKDLMIFL-UHFFFAOYSA-N
SMILES:
N=C(NCc1ccc(cc1)Cl)SCCCc1cnc[nH]1
UNII:
RKU631JF4H
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.086g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
308.828g/mol
Monoisotopic Mass:
308.086g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
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