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918503-82-9 | 3H-1,2-Dithiole-3-thione, 5-(2,4-dimethyl-5-thiazolyl)-
CAS No: 918503-82-9 Catalog No: AG006DNX MDL No:
Product Description
Catalog Number:
AG006DNX
Chemical Name:
3H-1,2-Dithiole-3-thione, 5-(2,4-dimethyl-5-thiazolyl)-
CAS Number:
918503-82-9
Molecular Formula:
C8H7NS4
Molecular Weight:
245.4079
IUPAC Name:
5-(2,4-dimethyl-1,3-thiazol-5-yl)dithiole-3-thione
InChI:
InChI=1S/C8H7NS4/c1-4-8(11-5(2)9-4)6-3-7(10)13-12-6/h3H,1-2H3
InChI Key:
HNECUKBSMJHHMU-UHFFFAOYSA-N
SMILES:
Cc1nc(c(s1)c1ssc(=S)c1)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.946g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.391g/mol
Monoisotopic Mass:
244.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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