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33653-01-9 | 5-METHYL-1,3-BENZOXAZOLE-2-CARBOTHIOAMIDE
CAS No: 33653-01-9 Catalog No: AG01C7K7 MDL No:MFCD20707312
Product Description
Catalog Number:
AG01C7K7
Chemical Name:
5-METHYL-1,3-BENZOXAZOLE-2-CARBOTHIOAMIDE
CAS Number:
33653-01-9
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
MDL Number:
MFCD20707312
IUPAC Name:
5-methyl-1,3-benzoxazole-2-carbothioamide
InChI:
InChI=1S/C9H8N2OS/c1-5-2-3-7-6(4-5)11-9(12-7)8(10)13/h2-4H,1H3,(H2,10,13)
InChI Key:
CWIWLRVMGGGOFT-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(o2)C(=S)N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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