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131748-79-3 | Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-cyano-N''-methyl-
CAS No: 131748-79-3 Catalog No: AG000ZOS MDL No:
Product Description
Catalog Number:
AG000ZOS
Chemical Name:
Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-cyano-N''-methyl-
CAS Number:
131748-79-3
Molecular Formula:
C7H8ClN5S
Molecular Weight:
229.6899
IUPAC Name:
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-cyano-2-methylguanidine
InChI:
InChI=1S/C7H8ClN5S/c1-10-7(13-4-9)12-3-5-2-11-6(8)14-5/h2H,3H2,1H3,(H2,10,12,13)
InChI Key:
DDMVKFBRXMQSOW-UHFFFAOYSA-N
SMILES:
CN=C(NC#N)NCc1cnc(s1)Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.686g/mol
Monoisotopic Mass:
229.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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