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37890-99-6 | ethyl N-[(5-methylpyridin-2-yl)carbamothioyl]carbamate
CAS No: 37890-99-6 Catalog No: AG00I7GI MDL No:MFCD18431230
Product Description
Catalog Number:
AG00I7GI
Chemical Name:
ethyl N-[(5-methylpyridin-2-yl)carbamothioyl]carbamate
CAS Number:
37890-99-6
Molecular Formula:
C10H13N3O2S
Molecular Weight:
239.2941
MDL Number:
MFCD18431230
IUPAC Name:
ethyl N-[(5-methylpyridin-2-yl)carbamothioyl]carbamate
InChI:
InChI=1S/C10H13N3O2S/c1-3-15-10(14)13-9(16)12-8-5-4-7(2)6-11-8/h4-6H,3H2,1-2H3,(H2,11,12,13,14,16)
InChI Key:
RIALEDDVUZGYDN-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC(=S)Nc1ccc(cn1)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.293g/mol
Monoisotopic Mass:
239.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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