5-chloro-3-methoxy-2-propoxybenzenethiol

C10H13ClO2S — CID 91874262

IUPAC5-chloro-3-methoxy-2-propoxybenzenethiol
SMILESCCCOc1c(S)cc(Cl)cc1OC
InChIInChI=1S/C10H13ClO2S/c1-3-4-13-10-8(12-2)5-7(11)6-9(10)14/h5-6,14H,3-4H2,1-2H3
InChIKeyYRNKBVLTCHNNML-UHFFFAOYSA-N
MW232.73 g/mol
LogP3.43
Rot. Bonds4

About 5-chloro-3-methoxy-2-propoxybenzenethiol

5-chloro-3-methoxy-2-propoxybenzenethiol (PubChem CID 91874262) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is 5-chloro-3-methoxy-2-propoxybenzenethiol.

Molecular Properties

Compound Name5-chloro-3-methoxy-2-propoxybenzenethiol
PubChem CID91874262
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name5-chloro-3-methoxy-2-propoxybenzenethiol
SMILESCCCOc1c(S)cc(Cl)cc1OC
InChIInChI=1S/C10H13ClO2S/c1-3-4-13-10-8(12-2)5-7(11)6-9(10)14/h5-6,14H,3-4H2,1-2H3
InChIKeyYRNKBVLTCHNNML-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-3-methoxy-2-propoxybenzenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
N-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074189
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
(5-chloro-3-methoxy-2-pentoxyphenyl)methanol
CID 113438830
1-(bromomethyl)-5-chloro-2-hexoxy-3-methoxybenzene
CID 113438868
(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
CID 104664304
N-[[5-chloro-3-methoxy-2-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 106450715
(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 19617932
5-chloro-2-heptoxy-3-methoxybenzoic acid
CID 104665678
4,5-dichloro-2-propoxybenzenethiol
CID 91874244
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol
CID 104666066
5-chloro-2-ethoxy-3-methoxyphenol
CID 121210338

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-2-propoxybenzenethiol?
The IUPAC name of 5-chloro-3-methoxy-2-propoxybenzenethiol (CID 91874262) is 5-chloro-3-methoxy-2-propoxybenzenethiol.
What is the SMILES notation for 5-chloro-3-methoxy-2-propoxybenzenethiol?
The canonical SMILES for 5-chloro-3-methoxy-2-propoxybenzenethiol is CCCOc1c(S)cc(Cl)cc1OC.
What is the InChIKey of 5-chloro-3-methoxy-2-propoxybenzenethiol?
The InChIKey is YRNKBVLTCHNNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-3-4-13-10-8(12-2)5-7(11)6-9(10)14/h5-6,14H,3-4H2,1-2H3.
What are the key properties of 5-chloro-3-methoxy-2-propoxybenzenethiol?
5-chloro-3-methoxy-2-propoxybenzenethiol has a molecular weight of 232.73 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-2-propoxybenzenethiol is sourced from PubChem (CID 91874262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).