4-chloro-5-(3,4-dimethylanilino)dithiol-3-one

C11H10ClNOS2 — CID 2466443

IUPAC4-chloro-5-(3,4-dimethylanilino)dithiol-3-one
SMILESCc1ccc(Nc2ssc(=O)c2Cl)cc1C
InChIInChI=1S/C11H10ClNOS2/c1-6-3-4-8(5-7(6)2)13-10-9(12)11(14)16-15-10/h3-5,13H,1-2H3
InChIKeyFBVRMVNREXXMLZ-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.18
Rot. Bonds2

About 4-chloro-5-(3,4-dimethylanilino)dithiol-3-one

4-chloro-5-(3,4-dimethylanilino)dithiol-3-one (PubChem CID 2466443) has the molecular formula C11H10ClNOS2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-chloro-5-(3,4-dimethylanilino)dithiol-3-one.

Molecular Properties

Compound Name4-chloro-5-(3,4-dimethylanilino)dithiol-3-one
PubChem CID2466443
Molecular FormulaC11H10ClNOS2
Molecular Weight271.79 g/mol
Exact Mass270.99
IUPAC Name4-chloro-5-(3,4-dimethylanilino)dithiol-3-one
SMILESCc1ccc(Nc2ssc(=O)c2Cl)cc1C
InChIInChI=1S/C11H10ClNOS2/c1-6-3-4-8(5-7(6)2)13-10-9(12)11(14)16-15-10/h3-5,13H,1-2H3
InChIKeyFBVRMVNREXXMLZ-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,4-dimethylanilino)dithiol-3-one?
The IUPAC name of 4-chloro-5-(3,4-dimethylanilino)dithiol-3-one (CID 2466443) is 4-chloro-5-(3,4-dimethylanilino)dithiol-3-one.
What is the SMILES notation for 4-chloro-5-(3,4-dimethylanilino)dithiol-3-one?
The canonical SMILES for 4-chloro-5-(3,4-dimethylanilino)dithiol-3-one is Cc1ccc(Nc2ssc(=O)c2Cl)cc1C.
What is the InChIKey of 4-chloro-5-(3,4-dimethylanilino)dithiol-3-one?
The InChIKey is FBVRMVNREXXMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS2/c1-6-3-4-8(5-7(6)2)13-10-9(12)11(14)16-15-10/h3-5,13H,1-2H3.
What are the key properties of 4-chloro-5-(3,4-dimethylanilino)dithiol-3-one?
4-chloro-5-(3,4-dimethylanilino)dithiol-3-one has a molecular weight of 271.79 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3,4-dimethylanilino)dithiol-3-one is sourced from PubChem (CID 2466443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).