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127346-42-3 | 4-Thiazolamine, 2-(methylthio)-5-nitro-
CAS No: 127346-42-3 Catalog No: AG000WY4 MDL No:
Product Description
Catalog Number:
AG000WY4
Chemical Name:
4-Thiazolamine, 2-(methylthio)-5-nitro-
CAS Number:
127346-42-3
Molecular Formula:
C4H5N3O2S2
Molecular Weight:
191.2314
IUPAC Name:
2-methylsulfanyl-5-nitro-1,3-thiazol-4-amine
InChI:
InChI=1S/C4H5N3O2S2/c1-10-4-6-2(5)3(11-4)7(8)9/h5H2,1H3
InChI Key:
ZPCLHYJMLDEAHT-UHFFFAOYSA-N
SMILES:
CSc1nc(c(s1)[N+](=O)[O-])N
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.982g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.223g/mol
Monoisotopic Mass:
190.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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