1-chloro-2-hydroxysulfanylbenzene

C6H5ClOS — CID 67172287

IUPAC1-chloro-2-hydroxysulfanylbenzene
SMILESOSc1ccccc1Cl
InChIInChI=1S/C6H5ClOS/c7-5-3-1-2-4-6(5)9-8/h1-4,8H
InChIKeyIGVWMDVVOSALRJ-UHFFFAOYSA-N
MW160.62 g/mol
LogP2.91
Rot. Bonds1

About 1-chloro-2-hydroxysulfanylbenzene

1-chloro-2-hydroxysulfanylbenzene (PubChem CID 67172287) has the molecular formula C6H5ClOS and a molecular weight of 160.62 g/mol. Its IUPAC name is 1-chloro-2-hydroxysulfanylbenzene.

Molecular Properties

Compound Name1-chloro-2-hydroxysulfanylbenzene
PubChem CID67172287
Molecular FormulaC6H5ClOS
Molecular Weight160.62 g/mol
Exact Mass159.97
IUPAC Name1-chloro-2-hydroxysulfanylbenzene
SMILESOSc1ccccc1Cl
InChIInChI=1S/C6H5ClOS/c7-5-3-1-2-4-6(5)9-8/h1-4,8H
InChIKeyIGVWMDVVOSALRJ-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl) thiohypofluorite
CID 152757433
1-chloro-2-(disulfanyl)benzene
CID 18463445
2-(2-chlorophenyl)sulfanylphenol
CID 20513469
CID 160556343
CID 160556343
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
CID 63813984
azane;1,2-dichlorobenzene
CID 70584322
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CID 176898076
1,3-dichloro-5-(2-chlorophenyl)sulfanylbenzene
CID 100989266
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
(2-chlorophenyl)sulfanylmethyl-trifluoroboranuide
CID 63703391
N'-amino-2-(2-chlorophenyl)sulfanylethanimidamide
CID 77113318

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-hydroxysulfanylbenzene?
The IUPAC name of 1-chloro-2-hydroxysulfanylbenzene (CID 67172287) is 1-chloro-2-hydroxysulfanylbenzene.
What is the SMILES notation for 1-chloro-2-hydroxysulfanylbenzene?
The canonical SMILES for 1-chloro-2-hydroxysulfanylbenzene is OSc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-hydroxysulfanylbenzene?
The InChIKey is IGVWMDVVOSALRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClOS/c7-5-3-1-2-4-6(5)9-8/h1-4,8H.
What are the key properties of 1-chloro-2-hydroxysulfanylbenzene?
1-chloro-2-hydroxysulfanylbenzene has a molecular weight of 160.62 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-hydroxysulfanylbenzene is sourced from PubChem (CID 67172287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).