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126272-24-0 | (2-phenyl-1,3-oxazol-4-yl)methanethiol
CAS No: 126272-24-0 Catalog No: AG01A6I9 MDL No:MFCD26407595
Product Description
Catalog Number:
AG01A6I9
Chemical Name:
(2-phenyl-1,3-oxazol-4-yl)methanethiol
CAS Number:
126272-24-0
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
MDL Number:
MFCD26407595
IUPAC Name:
(2-phenyl-1,3-oxazol-4-yl)methanethiol
InChI:
InChI=1S/C10H9NOS/c13-7-9-6-12-10(11-9)8-4-2-1-3-5-8/h1-6,13H,7H2
InChI Key:
VKAXJSNCTPVCJV-UHFFFAOYSA-N
SMILES:
SCc1coc(n1)c1ccccc1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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