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58417-92-8 | 5-tert-butyl-1,3-oxazole-2-thiol
CAS No: 58417-92-8 Catalog No: AG01A05P MDL No:MFCD22378631
Product Description
Catalog Number:
AG01A05P
Chemical Name:
5-tert-butyl-1,3-oxazole-2-thiol
CAS Number:
58417-92-8
Molecular Formula:
C7H11NOS
Molecular Weight:
157.2333
MDL Number:
MFCD22378631
IUPAC Name:
5-tert-butyl-3H-1,3-oxazole-2-thione
InChI:
InChI=1S/C7H11NOS/c1-7(2,3)5-4-8-6(10)9-5/h4H,1-3H3,(H,8,10)
InChI Key:
OVEGODRUHBMZLX-UHFFFAOYSA-N
SMILES:
CC(c1cnc(o1)S)(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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