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1431963-07-3 | 2-[(4-amino-1-methyl-1H-pyrazol-3-yl)sulfanyl]acetic acid hydrochloride
CAS No: 1431963-07-3 Catalog No: AG01FIEM MDL No:
Product Description
Catalog Number:
AG01FIEM
Chemical Name:
2-[(4-amino-1-methyl-1H-pyrazol-3-yl)sulfanyl]acetic acid hydrochloride
CAS Number:
1431963-07-3
Molecular Formula:
C6H10ClN3O2S
Molecular Weight:
223.6805
IUPAC Name:
2-(4-amino-1-methylpyrazol-3-yl)sulfanylacetic acid;hydrochloride
InChI:
InChI=1S/C6H9N3O2S.ClH/c1-9-2-4(7)6(8-9)12-3-5(10)11;/h2H,3,7H2,1H3,(H,10,11);1H
InChI Key:
MJJKDKIKQDTHNM-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)SCC(=O)O)N.Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.018g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.675g/mol
Monoisotopic Mass:
223.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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