2-chloro-1-hydroxysulfanyl-4-methoxybenzene

C7H7ClO2S — CID 123526479

IUPAC2-chloro-1-hydroxysulfanyl-4-methoxybenzene
SMILESCOc1ccc(SO)c(Cl)c1
InChIInChI=1S/C7H7ClO2S/c1-10-5-2-3-7(11-9)6(8)4-5/h2-4,9H,1H3
InChIKeyHIGLIAORLZVHKT-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.91
Rot. Bonds2

About 2-chloro-1-hydroxysulfanyl-4-methoxybenzene

2-chloro-1-hydroxysulfanyl-4-methoxybenzene (PubChem CID 123526479) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is 2-chloro-1-hydroxysulfanyl-4-methoxybenzene.

Molecular Properties

Compound Name2-chloro-1-hydroxysulfanyl-4-methoxybenzene
PubChem CID123526479
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Name2-chloro-1-hydroxysulfanyl-4-methoxybenzene
SMILESCOc1ccc(SO)c(Cl)c1
InChIInChI=1S/C7H7ClO2S/c1-10-5-2-3-7(11-9)6(8)4-5/h2-4,9H,1H3
InChIKeyHIGLIAORLZVHKT-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-methoxy-1-(methyldisulfanyl)benzene
CID 58500368
2-hydroxysulfanyl-4-methoxyphenol
CID 143396910
sodium 2-chloro-4-methoxyphenolate
CID 23710122
methyl 4-(2-chloro-4-methoxyphenyl)sulfanylbenzoate
CID 91879021
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61081677
2-[(2-chloro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 83942427
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-hydroxysulfanyl-4-methoxybenzene?
The IUPAC name of 2-chloro-1-hydroxysulfanyl-4-methoxybenzene (CID 123526479) is 2-chloro-1-hydroxysulfanyl-4-methoxybenzene.
What is the SMILES notation for 2-chloro-1-hydroxysulfanyl-4-methoxybenzene?
The canonical SMILES for 2-chloro-1-hydroxysulfanyl-4-methoxybenzene is COc1ccc(SO)c(Cl)c1.
What is the InChIKey of 2-chloro-1-hydroxysulfanyl-4-methoxybenzene?
The InChIKey is HIGLIAORLZVHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c1-10-5-2-3-7(11-9)6(8)4-5/h2-4,9H,1H3.
What are the key properties of 2-chloro-1-hydroxysulfanyl-4-methoxybenzene?
2-chloro-1-hydroxysulfanyl-4-methoxybenzene has a molecular weight of 190.65 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-hydroxysulfanyl-4-methoxybenzene is sourced from PubChem (CID 123526479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).