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52378-42-4 | Thiourea, N-ethyl-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-
CAS No: 52378-42-4 Catalog No: AG006UGE MDL No:
Product Description
Catalog Number:
AG006UGE
Chemical Name:
Thiourea, N-ethyl-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-
CAS Number:
52378-42-4
Molecular Formula:
C10H18N4S2
Molecular Weight:
258.4067
IUPAC Name:
1-ethyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
InChI:
InChI=1S/C10H18N4S2/c1-3-11-10(15)12-4-5-16-6-9-8(2)13-7-14-9/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)
InChI Key:
CGDLCFBOCPCUHF-UHFFFAOYSA-N
SMILES:
CCNC(=S)NCCSCc1nc[nH]c1C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.097g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.402g/mol
Monoisotopic Mass:
258.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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