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88020-79-5 | 1,2,4,6-Thiatriazepine-3(2H)-thione, 5-amino-7-(methylthio)-
CAS No: 88020-79-5 Catalog No: AG004GK6 MDL No:
Product Description
Catalog Number:
AG004GK6
Chemical Name:
1,2,4,6-Thiatriazepine-3(2H)-thione, 5-amino-7-(methylthio)-
CAS Number:
88020-79-5
Molecular Formula:
C4H6N4S3
Molecular Weight:
206.3122
IUPAC Name:
5-amino-7-methylsulfanyl-1,2,4,6-thiatriazepine-3-thione
InChI:
InChI=1S/C4H6N4S3/c1-10-4-7-2(5)6-3(9)8-11-4/h1H3,(H3,5,6,8,9)
InChI Key:
GNKXWHVIPLGILU-UHFFFAOYSA-N
SMILES:
CSC1=NC(=NC(=S)NS1)N
Properties
Complexity:
234
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:
3
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:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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