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112683-63-3 | 2(3H)-Oxazolethione, 4-(1,1-dimethylethyl)-
CAS No: 112683-63-3 Catalog No: AG007SIP MDL No:MFCD28152380
Product Description
Catalog Number:
AG007SIP
Chemical Name:
2(3H)-Oxazolethione, 4-(1,1-dimethylethyl)-
CAS Number:
112683-63-3
Molecular Formula:
C7H11NOS
Molecular Weight:
157.2333
MDL Number:
MFCD28152380
IUPAC Name:
4-tert-butyl-3H-1,3-oxazole-2-thione
InChI:
InChI=1S/C7H11NOS/c1-7(2,3)5-4-9-6(10)8-5/h4H,1-3H3,(H,8,10)
InChI Key:
QPLZPSQXPYQKQT-UHFFFAOYSA-N
SMILES:
CC(c1coc(=S)[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:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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