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Home > Pyridines > 155047-58-8
155047-58-8 | Thiourea, N-(cyclopropylmethyl)-N-[1-(4-pyridinyl)ethyl]-
CAS No: 155047-58-8 Catalog No: AG001NL4 MDL No:
Product Description
Catalog Number:
AG001NL4
Chemical Name:
Thiourea, N-(cyclopropylmethyl)-N-[1-(4-pyridinyl)ethyl]-
CAS Number:
155047-58-8
Molecular Formula:
C12H17N3S
Molecular Weight:
235.3485
IUPAC Name:
1-(cyclopropylmethyl)-1-(1-pyridin-4-ylethyl)thiourea
InChI:
InChI=1S/C12H17N3S/c1-9(11-4-6-14-7-5-11)15(12(13)16)8-10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H2,13,16)
InChI Key:
KEMLILBGBYFHBZ-UHFFFAOYSA-N
SMILES:
CC(N(C(=S)N)CC1CC1)c1ccncc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.349g/mol
Monoisotopic Mass:
235.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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