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1287217-54-2 | 2-Methyl-1,3-benzoxazole-5-carbothioamide
CAS No: 1287217-54-2 Catalog No: AG01FBJU MDL No:
Product Description
Catalog Number:
AG01FBJU
Chemical Name:
2-Methyl-1,3-benzoxazole-5-carbothioamide
CAS Number:
1287217-54-2
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
IUPAC Name:
2-methyl-1,3-benzoxazole-5-carbothioamide
InChI:
InChI=1S/C9H8N2OS/c1-5-11-7-4-6(9(10)13)2-3-8(7)12-5/h2-4H,1H3,(H2,10,13)
InChI Key:
XGIRTTMWNGAPLV-UHFFFAOYSA-N
SMILES:
Cc1oc2c(n1)cc(cc2)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:
1.6
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