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896111-42-5 | Thiourea, N-(2,2-dimethyl-2H-1-benzopyran-6-yl)-N'-phenyl-
CAS No: 896111-42-5 Catalog No: AG003YPP MDL No:
Product Description
Catalog Number:
AG003YPP
Chemical Name:
Thiourea, N-(2,2-dimethyl-2H-1-benzopyran-6-yl)-N'-phenyl-
CAS Number:
896111-42-5
Molecular Formula:
C18H18N2OS
Molecular Weight:
310.4133
IUPAC Name:
1-(2,2-dimethylchromen-6-yl)-3-phenylthiourea
InChI:
InChI=1S/C18H18N2OS/c1-18(2)11-10-13-12-15(8-9-16(13)21-18)20-17(22)19-14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,19,20,22)
InChI Key:
LRMGHFLCGDSSLB-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)Nc1ccc2c(c1)C=CC(O2)(C)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.415g/mol
Monoisotopic Mass:
310.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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