5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine

C10H8BrClS2 — CID 11370259

IUPAC5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine
SMILESClc1ccc(C2=C(Br)SCCS2)cc1
InChIInChI=1S/C10H8BrClS2/c11-10-9(13-5-6-14-10)7-1-3-8(12)4-2-7/h1-4H,5-6H2
InChIKeyILIXRWOVGXSIFZ-UHFFFAOYSA-N
MW307.67 g/mol
LogP4.84
Rot. Bonds1

About 5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine

5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine (PubChem CID 11370259) has the molecular formula C10H8BrClS2 and a molecular weight of 307.67 g/mol. Its IUPAC name is 5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine.

Molecular Properties

Compound Name5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine
PubChem CID11370259
Molecular FormulaC10H8BrClS2
Molecular Weight307.67 g/mol
Exact Mass305.89
IUPAC Name5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine
SMILESClc1ccc(C2=C(Br)SCCS2)cc1
InChIInChI=1S/C10H8BrClS2/c11-10-9(13-5-6-14-10)7-1-3-8(12)4-2-7/h1-4H,5-6H2
InChIKeyILIXRWOVGXSIFZ-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.67
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-phenyl-2,3-dihydro-1,4-dithiine
CID 11414632
1-(2-bromocyclobuten-1-yl)-4-chlorobenzene
CID 164680892
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
2-chloro-3-(4-phenylphenyl)-6,7-dihydro-5H-1,4-dithiepine
CID 11220878
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
1-bromo-4-chlorobenzene
CID 7806
1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene
CID 164887651
2,5-bis(4-chlorophenyl)thiophene
CID 3588046
azane;1,4-dichlorobenzene
CID 69330361
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole
CID 21409105
4-chloro-3-(4-chlorophenyl)-7-phenyl-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
CID 11014411

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine?
The IUPAC name of 5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine (CID 11370259) is 5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine.
What is the SMILES notation for 5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine?
The canonical SMILES for 5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine is Clc1ccc(C2=C(Br)SCCS2)cc1.
What is the InChIKey of 5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine?
The InChIKey is ILIXRWOVGXSIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClS2/c11-10-9(13-5-6-14-10)7-1-3-8(12)4-2-7/h1-4H,5-6H2.
What are the key properties of 5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine?
5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine has a molecular weight of 307.67 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine is sourced from PubChem (CID 11370259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).