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299207-81-1 | N-(2-furylmethyl)-N'-(1H-indol-5-yl)thiourea
CAS No: 299207-81-1 Catalog No: AG01CAY4 MDL No:MFCD00278619
Product Description
Catalog Number:
AG01CAY4
Chemical Name:
N-(2-furylmethyl)-N'-(1H-indol-5-yl)thiourea
CAS Number:
299207-81-1
Molecular Formula:
C14H13N3OS
Molecular Weight:
271.3375
MDL Number:
MFCD00278619
IUPAC Name:
1-(furan-2-ylmethyl)-3-(1H-indol-5-yl)thiourea
InChI:
InChI=1S/C14H13N3OS/c19-14(16-9-12-2-1-7-18-12)17-11-3-4-13-10(8-11)5-6-15-13/h1-8,15H,9H2,(H2,16,17,19)
InChI Key:
NNUQNQHIDUAHFO-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc2c(c1)cc[nH]2)NCc1ccco1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.338g/mol
Monoisotopic Mass:
271.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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