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Home > Pyridines > 180403-26-3
180403-26-3 | Thiourea, N-[2-(2-pyridinyl)ethyl]-
CAS No: 180403-26-3 Catalog No: AG0021ZP MDL No:MFCD00041228
Product Description
Catalog Number:
AG0021ZP
Chemical Name:
Thiourea, N-[2-(2-pyridinyl)ethyl]-
CAS Number:
180403-26-3
Molecular Formula:
C8H11N3S
Molecular Weight:
181.2580
MDL Number:
MFCD00041228
IUPAC Name:
2-pyridin-2-ylethylthiourea
InChI:
InChI=1S/C8H11N3S/c9-8(12)11-6-4-7-3-1-2-5-10-7/h1-3,5H,4,6H2,(H3,9,11,12)
InChI Key:
LDLXTZMRWVQZJV-UHFFFAOYSA-N
SMILES:
NC(=S)NCCc1ccccn1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.257g/mol
Monoisotopic Mass:
181.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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