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828245-73-4 | 1H-1,2,4-Triazole-1-carbodithioic acid, 5-amino-3-(methylthio)-
CAS No: 828245-73-4 Catalog No: AG004XRE MDL No:
Product Description
Catalog Number:
AG004XRE
Chemical Name:
1H-1,2,4-Triazole-1-carbodithioic acid, 5-amino-3-(methylthio)-
CAS Number:
828245-73-4
Molecular Formula:
C4H6N4S3
Molecular Weight:
206.3122
IUPAC Name:
5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbodithioic acid
InChI:
InChI=1S/C4H6N4S3/c1-11-3-6-2(5)8(7-3)4(9)10/h1H3,(H,9,10)(H2,5,6,7)
InChI Key:
OHNZWUIOORVFGC-UHFFFAOYSA-N
SMILES:
CSc1nn(c(n1)N)C(=S)S
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.975g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.3g/mol
Monoisotopic Mass:
205.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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