6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene

C15H12Cl2S — CID 54133109

IUPAC6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene
SMILESClc1ccc(C2CCc3cc(Cl)ccc3S2)cc1
InChIInChI=1S/C15H12Cl2S/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h1-2,4-6,8-9,14H,3,7H2
InChIKeyNVTANGHJMGKCTM-UHFFFAOYSA-N
MW295.23 g/mol
LogP5.77
Rot. Bonds1

About 6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene

6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene (PubChem CID 54133109) has the molecular formula C15H12Cl2S and a molecular weight of 295.23 g/mol. Its IUPAC name is 6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene
PubChem CID54133109
Molecular FormulaC15H12Cl2S
Molecular Weight295.23 g/mol
Exact Mass294.00
IUPAC Name6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene
SMILESClc1ccc(C2CCc3cc(Cl)ccc3S2)cc1
InChIInChI=1S/C15H12Cl2S/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h1-2,4-6,8-9,14H,3,7H2
InChIKeyNVTANGHJMGKCTM-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.23
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-2,3-bis(4-chlorophenyl)thiirane
CID 11312048
2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 13071524
2,6-bis(4-chlorophenyl)-1,4-dithiane
CID 11210011
1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117201005
7-(4-chlorophenyl)-5,6,6a,7-tetrahydronaphtho[2,1-c][1,5]benzothiazepine
CID 616851
6-chloro-2-phenyl-3,4-dihydro-2H-chromene
CID 13250352
6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115057058
1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one
CID 117200982
2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 117201016
6-chloro-1-fluoro-2,3-dihydro-1H-indene
CID 84717388
5-phenylthiolane-2-thione
CID 11095521
3-(4-chlorophenyl)-2-thiabicyclo[2.2.2]oct-5-ene
CID 134924818

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene?
The IUPAC name of 6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene (CID 54133109) is 6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene is Clc1ccc(C2CCc3cc(Cl)ccc3S2)cc1.
What is the InChIKey of 6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene?
The InChIKey is NVTANGHJMGKCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2S/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h1-2,4-6,8-9,14H,3,7H2.
What are the key properties of 6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene?
6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene has a molecular weight of 295.23 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 54133109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).