2-chloro-4-(disulfanyl)phenol

C6H5ClOS2 — CID 123357058

IUPAC2-chloro-4-(disulfanyl)phenol
SMILESOc1ccc(SS)cc1Cl
InChIInChI=1S/C6H5ClOS2/c7-5-3-4(10-9)1-2-6(5)8/h1-3,8-9H
InChIKeyJBQQNFVHHXRVBC-UHFFFAOYSA-N
MW192.69 g/mol
LogP2.98
Rot. Bonds1

About 2-chloro-4-(disulfanyl)phenol

2-chloro-4-(disulfanyl)phenol (PubChem CID 123357058) has the molecular formula C6H5ClOS2 and a molecular weight of 192.69 g/mol. Its IUPAC name is 2-chloro-4-(disulfanyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(disulfanyl)phenol
PubChem CID123357058
Molecular FormulaC6H5ClOS2
Molecular Weight192.69 g/mol
Exact Mass191.95
IUPAC Name2-chloro-4-(disulfanyl)phenol
SMILESOc1ccc(SS)cc1Cl
InChIInChI=1S/C6H5ClOS2/c7-5-3-4(10-9)1-2-6(5)8/h1-3,8-9H
InChIKeyJBQQNFVHHXRVBC-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloro-4-(disulfanyl)benzene
CID 117033810
2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile
CID 10130383
2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol
CID 14273272
4-butylsulfanyl-2-chlorophenol
CID 102249148
2-chloro-4-(6-hydroxyhexylsulfanyl)phenol
CID 19745479
5-(disulfanyl)-2-phenylphenol
CID 123506237
2-chloro-4-(1-sulfanylethyl)phenol
CID 137430767
CID 174714761
CID 174714761
4-benzylsulfanyl-2-chlorophenol;4-bromo-2-chlorophenol
CID 161063142
2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol
CID 172557262
1,3-dichlorobenzene;2,4-dichlorophenol
CID 141496393
2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol
CID 13052054

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(disulfanyl)phenol?
The IUPAC name of 2-chloro-4-(disulfanyl)phenol (CID 123357058) is 2-chloro-4-(disulfanyl)phenol.
What is the SMILES notation for 2-chloro-4-(disulfanyl)phenol?
The canonical SMILES for 2-chloro-4-(disulfanyl)phenol is Oc1ccc(SS)cc1Cl.
What is the InChIKey of 2-chloro-4-(disulfanyl)phenol?
The InChIKey is JBQQNFVHHXRVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClOS2/c7-5-3-4(10-9)1-2-6(5)8/h1-3,8-9H.
What are the key properties of 2-chloro-4-(disulfanyl)phenol?
2-chloro-4-(disulfanyl)phenol has a molecular weight of 192.69 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(disulfanyl)phenol is sourced from PubChem (CID 123357058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).