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100097-66-3 | 1,2,3-Thiadiazole-4-carbothioamide, 5-amino-
CAS No: 100097-66-3 Catalog No: AG0000WL MDL No:MFCD20690872
Product Description
Catalog Number:
AG0000WL
Chemical Name:
1,2,3-Thiadiazole-4-carbothioamide, 5-amino-
CAS Number:
100097-66-3
Molecular Formula:
C3H4N4S2
Molecular Weight:
160.2207
MDL Number:
MFCD20690872
IUPAC Name:
5-aminothiadiazole-4-carbothioamide
InChI:
InChI=1S/C3H4N4S2/c4-2(8)1-3(5)9-7-6-1/h5H2,(H2,4,8)
InChI Key:
XBSUFSWYJXYZSW-UHFFFAOYSA-N
SMILES:
NC(=S)c1nnsc1N
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.988g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
159.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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