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34970-65-5 | Thiourea, N-(3-(1H-imidazol-4-yl)propyl)-N-methyl-
CAS No: 34970-65-5 Catalog No: AG007GLP MDL No:
Product Description
Catalog Number:
AG007GLP
Chemical Name:
Thiourea, N-(3-(1H-imidazol-4-yl)propyl)-N-methyl-
CAS Number:
34970-65-5
Molecular Formula:
C8H14N4S
Molecular Weight:
198.2886
IUPAC Name:
1-[3-(1H-imidazol-5-yl)propyl]-3-methylthiourea
InChI:
InChI=1S/C8H14N4S/c1-9-8(13)11-4-2-3-7-5-10-6-12-7/h5-6H,2-4H2,1H3,(H,10,12)(H2,9,11,13)
InChI Key:
RGIDMSNTKAZSFO-UHFFFAOYSA-N
SMILES:
NC(=S)N(CCCc1c[nH]cn1)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.288g/mol
Monoisotopic Mass:
198.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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