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497060-40-9 | 3-cyclopropanecarbonyl-1-(6-methoxypyridin-3-yl)thiourea
CAS No: 497060-40-9 Catalog No: AG00IXDV MDL No:MFCD02662127
Product Description
Catalog Number:
AG00IXDV
Chemical Name:
3-cyclopropanecarbonyl-1-(6-methoxypyridin-3-yl)thiourea
CAS Number:
497060-40-9
Molecular Formula:
C11H13N3O2S
Molecular Weight:
251.3048
MDL Number:
MFCD02662127
IUPAC Name:
N-[(6-methoxypyridin-3-yl)carbamothioyl]cyclopropanecarboxamide
InChI:
InChI=1S/C11H13N3O2S/c1-16-9-5-4-8(6-12-9)13-11(17)14-10(15)7-2-3-7/h4-7H,2-3H2,1H3,(H2,13,14,15,17)
InChI Key:
QXYCBBFQUUXATN-UHFFFAOYSA-N
SMILES:
COc1ccc(cn1)NC(=S)NC(=O)C1CC1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.304g/mol
Monoisotopic Mass:
251.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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