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74633-67-3 | Thiourea, N-methyl-N'-[2-[[(1-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]-
CAS No: 74633-67-3 Catalog No: AG005AEN MDL No:
Product Description
Catalog Number:
AG005AEN
Chemical Name:
Thiourea, N-methyl-N'-[2-[[(1-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]-
CAS Number:
74633-67-3
Molecular Formula:
C9H16N4S2
Molecular Weight:
244.3801
IUPAC Name:
1-methyl-3-[2-[(3-methylimidazol-4-yl)methylsulfanyl]ethyl]thiourea
InChI:
InChI=1S/C9H16N4S2/c1-10-9(14)12-3-4-15-6-8-5-11-7-13(8)2/h5,7H,3-4,6H2,1-2H3,(H2,10,12,14)
InChI Key:
IXFUKBCDWMSBLL-UHFFFAOYSA-N
SMILES:
CNC(=S)NCCSCc1cncn1C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.375g/mol
Monoisotopic Mass:
244.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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