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99700-05-7 | 1-((4,5,6,7-TETRAHYDRO-1-ETHYLBENZO[D]IMIDAZOL-5-YL)METHYL)-3-ISOPROPYL-2-THIOUREA
CAS No: 99700-05-7 Catalog No: AG005S0L MDL No:
Product Description
Catalog Number:
AG005S0L
Chemical Name:
1-((4,5,6,7-TETRAHYDRO-1-ETHYLBENZO[D]IMIDAZOL-5-YL)METHYL)-3-ISOPROPYL-2-THIOUREA
CAS Number:
99700-05-7
Molecular Formula:
C14H24N4S
Molecular Weight:
280.4322
IUPAC Name:
1-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]-3-propan-2-ylthiourea
InChI:
InChI=1S/C14H24N4S/c1-4-18-9-16-12-7-11(5-6-13(12)18)8-15-14(19)17-10(2)3/h9-11H,4-8H2,1-3H3,(H2,15,17,19)
InChI Key:
XCKUDIXCUJBFMK-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1CCC(C2)CNC(=S)NC(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.172g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.434g/mol
Monoisotopic Mass:
280.172g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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