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299207-82-2 | N-cyclopentyl-N'-(1H-indol-5-yl)thiourea
CAS No: 299207-82-2 Catalog No: AG01CAY5 MDL No:MFCD00278618
Product Description
Catalog Number:
AG01CAY5
Chemical Name:
N-cyclopentyl-N'-(1H-indol-5-yl)thiourea
CAS Number:
299207-82-2
Molecular Formula:
C14H17N3S
Molecular Weight:
259.3699
MDL Number:
MFCD00278618
IUPAC Name:
1-cyclopentyl-3-(1H-indol-5-yl)thiourea
InChI:
InChI=1S/C14H17N3S/c18-14(16-11-3-1-2-4-11)17-12-5-6-13-10(9-12)7-8-15-13/h5-9,11,15H,1-4H2,(H2,16,17,18)
InChI Key:
BLVBSDVQVATXBK-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc2c(c1)cc[nH]2)NC1CCCC1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.371g/mol
Monoisotopic Mass:
259.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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