N-tert-butyl-2-phenylthiochromen-4-imine

C19H19NS — CID 135032655

IUPACN-tert-butyl-2-phenylthiochromen-4-imine
SMILESCC(C)(C)/N=c1\cc(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C19H19NS/c1-19(2,3)20-16-13-18(14-9-5-4-6-10-14)21-17-12-8-7-11-15(16)17/h4-13H,1-3H3/b20-16+
InChIKeyCAJLNVGUNYTDHM-CAPFRKAQSA-N
MW293.44 g/mol
LogP5.27
Rot. Bonds1

About N-tert-butyl-2-phenylthiochromen-4-imine

N-tert-butyl-2-phenylthiochromen-4-imine (PubChem CID 135032655) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-tert-butyl-2-phenylthiochromen-4-imine.

Molecular Properties

Compound NameN-tert-butyl-2-phenylthiochromen-4-imine
PubChem CID135032655
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC NameN-tert-butyl-2-phenylthiochromen-4-imine
SMILESCC(C)(C)/N=c1\cc(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C19H19NS/c1-19(2,3)20-16-13-18(14-9-5-4-6-10-14)21-17-12-8-7-11-15(16)17/h4-13H,1-3H3/b20-16+
InChIKeyCAJLNVGUNYTDHM-CAPFRKAQSA-N
XLogP5.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-phenylthiochromen-4-imine?
The IUPAC name of N-tert-butyl-2-phenylthiochromen-4-imine (CID 135032655) is N-tert-butyl-2-phenylthiochromen-4-imine.
What is the SMILES notation for N-tert-butyl-2-phenylthiochromen-4-imine?
The canonical SMILES for N-tert-butyl-2-phenylthiochromen-4-imine is CC(C)(C)/N=c1\cc(-c2ccccc2)sc2ccccc12.
What is the InChIKey of N-tert-butyl-2-phenylthiochromen-4-imine?
The InChIKey is CAJLNVGUNYTDHM-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H19NS/c1-19(2,3)20-16-13-18(14-9-5-4-6-10-14)21-17-12-8-7-11-15(16)17/h4-13H,1-3H3/b20-16+.
What are the key properties of N-tert-butyl-2-phenylthiochromen-4-imine?
N-tert-butyl-2-phenylthiochromen-4-imine has a molecular weight of 293.44 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-phenylthiochromen-4-imine is sourced from PubChem (CID 135032655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).