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75820-45-0 | 2(3H)-Thiazolone, 4-(1,1-dimethylethyl)-
CAS No: 75820-45-0 Catalog No: AG00G7GM MDL No:MFCD11220481
Product Description
Catalog Number:
AG00G7GM
Chemical Name:
2(3H)-Thiazolone, 4-(1,1-dimethylethyl)-
CAS Number:
75820-45-0
Molecular Formula:
C7H11NOS
Molecular Weight:
157.2333
MDL Number:
MFCD11220481
IUPAC Name:
4-tert-butyl-3H-1,3-thiazol-2-one
InChI:
InChI=1S/C7H11NOS/c1-7(2,3)5-4-10-6(9)8-5/h4H,1-3H3,(H,8,9)
InChI Key:
DZGLMEMWTFPPTN-UHFFFAOYSA-N
SMILES:
CC(c1csc(=O)[nH]1)(C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.231g/mol
Monoisotopic Mass:
157.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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