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155047-55-5 | Thiourea, N-[1-(3-chloro-4-pyridinyl)ethyl]-N-methyl-
CAS No: 155047-55-5 Catalog No: AG001NL5 MDL No:
Product Description
Catalog Number:
AG001NL5
Chemical Name:
Thiourea, N-[1-(3-chloro-4-pyridinyl)ethyl]-N-methyl-
CAS Number:
155047-55-5
Molecular Formula:
C9H12ClN3S
Molecular Weight:
229.7297
IUPAC Name:
1-[1-(3-chloropyridin-4-yl)ethyl]-1-methylthiourea
InChI:
InChI=1S/C9H12ClN3S/c1-6(13(2)9(11)14)7-3-4-12-5-8(7)10/h3-6H,1-2H3,(H2,11,14)
InChI Key:
XVILVUVUSUKYMY-UHFFFAOYSA-N
SMILES:
NC(=S)N(C(c1ccncc1Cl)C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.726g/mol
Monoisotopic Mass:
229.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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