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Home > Pyridines > 351498-11-8
351498-11-8 | 1-[(pyridin-3-yl)methyl]-3-(thiophene-2-carbonyl)thiourea
CAS No: 351498-11-8 Catalog No: AG00IVBI MDL No:MFCD01029092
Product Description
Catalog Number:
AG00IVBI
Chemical Name:
1-[(pyridin-3-yl)methyl]-3-(thiophene-2-carbonyl)thiourea
CAS Number:
351498-11-8
Molecular Formula:
C12H11N3OS2
Molecular Weight:
277.3652
MDL Number:
MFCD01029092
IUPAC Name:
N-(pyridin-3-ylmethylcarbamothioyl)thiophene-2-carboxamide
InChI:
InChI=1S/C12H11N3OS2/c16-11(10-4-2-6-18-10)15-12(17)14-8-9-3-1-5-13-7-9/h1-7H,8H2,(H2,14,15,16,17)
InChI Key:
BSTJDNAVKFRNME-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1cccs1)NCc1cccnc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.034g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.36g/mol
Monoisotopic Mass:
277.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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