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96155-96-3 | 2(3H)-Oxazolethione, 4,5-dimethyl-3-(1-methylethyl)-
CAS No: 96155-96-3 Catalog No: AG0068KY MDL No:
Product Description
Catalog Number:
AG0068KY
Chemical Name:
2(3H)-Oxazolethione, 4,5-dimethyl-3-(1-methylethyl)-
CAS Number:
96155-96-3
Molecular Formula:
C8H13NOS
Molecular Weight:
171.2599
IUPAC Name:
4,5-dimethyl-3-propan-2-yl-1,3-oxazole-2-thione
InChI:
InChI=1S/C8H13NOS/c1-5(2)9-6(3)7(4)10-8(9)11/h5H,1-4H3
InChI Key:
WZGPJIWTQABUDJ-UHFFFAOYSA-N
SMILES:
Cc1oc(=S)n(c1C)C(C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.072g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.258g/mol
Monoisotopic Mass:
171.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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