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5351-51-9 | 4,5-Dimethyl-2(3H)-thiazolethione
CAS No: 5351-51-9 Catalog No: AG0037AV MDL No:MFCD00037895
Product Description
Catalog Number:
AG0037AV
Chemical Name:
4,5-Dimethyl-2(3H)-thiazolethione
CAS Number:
5351-51-9
Molecular Formula:
C5H7NS2
Molecular Weight:
145.2458
MDL Number:
MFCD00037895
IUPAC Name:
4,5-dimethyl-3H-1,3-thiazole-2-thione
InChI:
InChI=1S/C5H7NS2/c1-3-4(2)8-5(7)6-3/h1-2H3,(H,6,7)
InChI Key:
KKHBRTFQIYIHEI-UHFFFAOYSA-N
SMILES:
S=c1[nH]c(c(s1)C)C
EC Number:
226-327-0
NSC Number:
681
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.002g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.238g/mol
Monoisotopic Mass:
145.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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