N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine

C15H12BrCl2NS — CID 103477914

IUPACN-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
SMILESClc1ccc2c(c1)C(Nc1cccc(Cl)c1Br)CCS2
InChIInChI=1S/C15H12BrCl2NS/c16-15-11(18)2-1-3-13(15)19-12-6-7-20-14-5-4-9(17)8-10(12)14/h1-5,8,12,19H,6-7H2
InChIKeyYJRCVGQHCOHPFC-UHFFFAOYSA-N
MW389.15 g/mol
LogP6.40
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine

N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 103477914) has the molecular formula C15H12BrCl2NS and a molecular weight of 389.15 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID103477914
Molecular FormulaC15H12BrCl2NS
Molecular Weight389.15 g/mol
Exact Mass386.93
IUPAC NameN-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
SMILESClc1ccc2c(c1)C(Nc1cccc(Cl)c1Br)CCS2
InChIInChI=1S/C15H12BrCl2NS/c16-15-11(18)2-1-3-13(15)19-12-6-7-20-14-5-4-9(17)8-10(12)14/h1-5,8,12,19H,6-7H2
InChIKeyYJRCVGQHCOHPFC-UHFFFAOYSA-N
XLogP6.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.15
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 81263430
6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43763363
N-(4-bromo-2,6-dichlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 63425801
6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43773146
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-6-fluorobenzonitrile
CID 43778320
6-chloro-N-(2-nitrophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232229
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine
CID 43788137
N-(4-bromo-2,6-dimethylphenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 63449196
2,3-dichloro-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 46656545
6-chloro-N-(3-methylsulfanylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43757315
6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43723344
6-chloro-N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232488

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine (CID 103477914) is N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine is Clc1ccc2c(c1)C(Nc1cccc(Cl)c1Br)CCS2.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is YJRCVGQHCOHPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NS/c16-15-11(18)2-1-3-13(15)19-12-6-7-20-14-5-4-9(17)8-10(12)14/h1-5,8,12,19H,6-7H2.
What are the key properties of N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine?
N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 389.15 g/mol, XLogP of 6.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 103477914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).