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787505-39-9 | Carbamimidothioic acid,(2,4-dimethyl-5-thiazolyl)methyl ester
CAS No: 787505-39-9 Catalog No: AG005JUM MDL No:
Product Description
Catalog Number:
AG005JUM
Chemical Name:
Carbamimidothioic acid,(2,4-dimethyl-5-thiazolyl)methyl ester
CAS Number:
787505-39-9
Molecular Formula:
C7H11N3S2
Molecular Weight:
201.3123
IUPAC Name:
(2,4-dimethyl-1,3-thiazol-5-yl)methyl carbamimidothioate
InChI:
InChI=1S/C7H11N3S2/c1-4-6(3-11-7(8)9)12-5(2)10-4/h3H2,1-2H3,(H3,8,9)
InChI Key:
ZMZJDFSSSIJBQK-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1CSC(=N)N)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.306g/mol
Monoisotopic Mass:
201.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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