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90298-71-8 | 2-Benzoxazolecarbothioamide, N-methyl-
CAS No: 90298-71-8 Catalog No: AG006G0I MDL No:
Product Description
Catalog Number:
AG006G0I
Chemical Name:
2-Benzoxazolecarbothioamide, N-methyl-
CAS Number:
90298-71-8
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
IUPAC Name:
N-methyl-1,3-benzoxazole-2-carbothioamide
InChI:
InChI=1S/C9H8N2OS/c1-10-9(13)8-11-6-4-2-3-5-7(6)12-8/h2-5H,1H3,(H,10,13)
InChI Key:
JNBFGALLCJXTQP-UHFFFAOYSA-N
SMILES:
CNC(=S)c1nc2c(o1)cccc2
Properties
Complexity:
210
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:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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