6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde

C8H7ClO2S — CID 105454924

IUPAC6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde
SMILESCSc1c(O)ccc(Cl)c1C=O
InChIInChI=1S/C8H7ClO2S/c1-12-8-5(4-10)6(9)2-3-7(8)11/h2-4,11H,1H3
InChIKeyAPQMHPYIMVMPEO-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.58
Rot. Bonds2

About 6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde

6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde (PubChem CID 105454924) has the molecular formula C8H7ClO2S and a molecular weight of 202.66 g/mol. Its IUPAC name is 6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde.

Molecular Properties

Compound Name6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde
PubChem CID105454924
Molecular FormulaC8H7ClO2S
Molecular Weight202.66 g/mol
Exact Mass201.99
IUPAC Name6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde
SMILESCSc1c(O)ccc(Cl)c1C=O
InChIInChI=1S/C8H7ClO2S/c1-12-8-5(4-10)6(9)2-3-7(8)11/h2-4,11H,1H3
InChIKeyAPQMHPYIMVMPEO-UHFFFAOYSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-hydroxy-3-methylsulfanylbenzaldehyde
CID 171368183
6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde
CID 164891692
1,4-dichloro-2,3-bis(methylsulfanyl)benzene
CID 129229080
4-chloro-3-fluoro-2-methylsulfanylbenzaldehyde
CID 164890843
2-chloro-3-fluoro-6-hydroxybenzaldehyde
CID 53407597
4-bromo-3-chloro-2-methylsulfanylphenol
CID 131361264
2-methylsulfanylbenzene-1,3-diol
CID 68838462
2,6-dichlorobenzaldehyde;ethane
CID 90823593
(2,4-dichloro-3-formylphenyl)boronic acid
CID 130058693
2,6-dichloro-4-methylsulfanylbenzaldehyde
CID 87864028
5-hydroxy-4-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 131014628
6-chloro-2,3-dimethoxybenzaldehyde
CID 19389247

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde?
The IUPAC name of 6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde (CID 105454924) is 6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde.
What is the SMILES notation for 6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde?
The canonical SMILES for 6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde is CSc1c(O)ccc(Cl)c1C=O.
What is the InChIKey of 6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde?
The InChIKey is APQMHPYIMVMPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2S/c1-12-8-5(4-10)6(9)2-3-7(8)11/h2-4,11H,1H3.
What are the key properties of 6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde?
6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde has a molecular weight of 202.66 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde is sourced from PubChem (CID 105454924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).