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122351-80-8 | Benzenecarbothioamide, N-(2-hydroxy-5-methylphenyl)-
CAS No: 122351-80-8 Catalog No: AG00175D MDL No:
Product Description
Catalog Number:
AG00175D
Chemical Name:
Benzenecarbothioamide, N-(2-hydroxy-5-methylphenyl)-
CAS Number:
122351-80-8
Molecular Formula:
C14H13NOS
Molecular Weight:
243.3241
IUPAC Name:
N-(2-hydroxy-5-methylphenyl)benzenecarbothioamide
InChI:
InChI=1S/C14H13NOS/c1-10-7-8-13(16)12(9-10)15-14(17)11-5-3-2-4-6-11/h2-9,16H,1H3,(H,15,17)
InChI Key:
LPKKXHVUUAFHBV-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)NC(=S)c1ccccc1)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.324g/mol
Monoisotopic Mass:
243.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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