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86253-00-1 | 2(3H)-Thiazolethione, 3-[2-[(2-hydroxyethyl)thio]ethyl]-4-methyl-
CAS No: 86253-00-1 Catalog No: AG008EZS MDL No:
Product Description
Catalog Number:
AG008EZS
Chemical Name:
2(3H)-Thiazolethione, 3-[2-[(2-hydroxyethyl)thio]ethyl]-4-methyl-
CAS Number:
86253-00-1
Molecular Formula:
C8H13NOS3
Molecular Weight:
235.3899
IUPAC Name:
3-[2-(2-hydroxyethylsulfanyl)ethyl]-4-methyl-1,3-thiazole-2-thione
InChI:
InChI=1S/C8H13NOS3/c1-7-6-13-8(11)9(7)2-4-12-5-3-10/h6,10H,2-5H2,1H3
InChI Key:
NGFXKUVLNZOJNS-UHFFFAOYSA-N
SMILES:
Cc1csc(=S)n1CCSCCO
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.016g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.378g/mol
Monoisotopic Mass:
235.016g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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