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89861-54-1 | Thiazole, 2-[(1,1-dimethylethyl)dithio]-4-methyl-
CAS No: 89861-54-1 Catalog No: AG003X1X MDL No:
Product Description
Catalog Number:
AG003X1X
Chemical Name:
Thiazole, 2-[(1,1-dimethylethyl)dithio]-4-methyl-
CAS Number:
89861-54-1
Molecular Formula:
C8H13NS3
Molecular Weight:
219.3905
IUPAC Name:
2-(tert-butyldisulfanyl)-4-methyl-1,3-thiazole
InChI:
InChI=1S/C8H13NS3/c1-6-5-10-7(9-6)11-12-8(2,3)4/h5H,1-4H3
InChI Key:
VDNCCZSIYDBYHI-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)SSC(C)(C)C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.021g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.379g/mol
Monoisotopic Mass:
219.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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