1-chloro-2-(disulfanyl)benzene

C6H5ClS2 — CID 18463445

IUPAC1-chloro-2-(disulfanyl)benzene
SMILESSSc1ccccc1Cl
InChIInChI=1S/C6H5ClS2/c7-5-3-1-2-4-6(5)9-8/h1-4,8H
InChIKeySDVTVCQCDSJBSP-UHFFFAOYSA-N
MW176.69 g/mol
LogP3.28
Rot. Bonds1

About 1-chloro-2-(disulfanyl)benzene

1-chloro-2-(disulfanyl)benzene (PubChem CID 18463445) has the molecular formula C6H5ClS2 and a molecular weight of 176.69 g/mol. Its IUPAC name is 1-chloro-2-(disulfanyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(disulfanyl)benzene
PubChem CID18463445
Molecular FormulaC6H5ClS2
Molecular Weight176.69 g/mol
Exact Mass175.95
IUPAC Name1-chloro-2-(disulfanyl)benzene
SMILESSSc1ccccc1Cl
InChIInChI=1S/C6H5ClS2/c7-5-3-1-2-4-6(5)9-8/h1-4,8H
InChIKeySDVTVCQCDSJBSP-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl) thiohypofluorite
CID 152757433
1-chloro-2-hydroxysulfanylbenzene
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CID 160556343
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2-(2-chlorophenyl)sulfanylphenol
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azane;1,2-dichlorobenzene
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1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene
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CID 63703391
2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol
CID 103074125
2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile
CID 10249651
2-(2-chlorophenyl)sulfanylbenzonitrile
CID 15643699
1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(disulfanyl)benzene?
The IUPAC name of 1-chloro-2-(disulfanyl)benzene (CID 18463445) is 1-chloro-2-(disulfanyl)benzene.
What is the SMILES notation for 1-chloro-2-(disulfanyl)benzene?
The canonical SMILES for 1-chloro-2-(disulfanyl)benzene is SSc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(disulfanyl)benzene?
The InChIKey is SDVTVCQCDSJBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClS2/c7-5-3-1-2-4-6(5)9-8/h1-4,8H.
What are the key properties of 1-chloro-2-(disulfanyl)benzene?
1-chloro-2-(disulfanyl)benzene has a molecular weight of 176.69 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(disulfanyl)benzene is sourced from PubChem (CID 18463445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).