5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol

C10H11ClO2S — CID 142600990

IUPAC5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol
SMILESCC1(O)CCOc2c(S)ccc(Cl)c21
InChIInChI=1S/C10H11ClO2S/c1-10(12)4-5-13-9-7(14)3-2-6(11)8(9)10/h2-3,12,14H,4-5H2,1H3
InChIKeyXSDPVPWANQCHIC-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.62
Rot. Bonds

About 5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol

5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol (PubChem CID 142600990) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is 5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol
PubChem CID142600990
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol
SMILESCC1(O)CCOc2c(S)ccc(Cl)c21
InChIInChI=1S/C10H11ClO2S/c1-10(12)4-5-13-9-7(14)3-2-6(11)8(9)10/h2-3,12,14H,4-5H2,1H3
InChIKeyXSDPVPWANQCHIC-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-Chloro-8-chlorosulfonyl-4-methyl-2,3-dihydrochromen-4-yl) 2,2,2-trifluoroacetate
CID 132203483
[5-Chloro-8-chlorosulfonyl-4-(trifluoromethyl)-2,3-dihydrochromen-4-yl] acetate
CID 138520549
5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride
CID 174946790
5-Fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol
CID 145411131
5-Chloro-4,4-difluoro-2,3-dihydrochromene-8-thiol
CID 145411205
5-Chloro-4,4,8-tris(methylsulfanyl)-2,3-dihydrochromene
CID 57263647
(5-Chloro-8-chlorosulfonyl-4-methyl-2,3-dihydrochromen-4-yl) acetate
CID 132203614
[5-Chloro-8-chlorosulfonyl-4-(trideuteriomethyl)-2,3-dihydrochromen-4-yl] acetate
CID 142750550
5-Chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide
CID 150825753
5-Chloro-4-methyl-2,3-dihydrochromen-4-ol
CID 175892308
5-Chloro-4-(trideuteriomethyl)-2,3-dihydrochromen-4-ol
CID 175892540
1-(6-Chloro-2-methoxy-3-sulfanylphenyl)ethanol
CID 145411133

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol?
The IUPAC name of 5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol (CID 142600990) is 5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol?
The canonical SMILES for 5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol is CC1(O)CCOc2c(S)ccc(Cl)c21.
What is the InChIKey of 5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol?
The InChIKey is XSDPVPWANQCHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c1-10(12)4-5-13-9-7(14)3-2-6(11)8(9)10/h2-3,12,14H,4-5H2,1H3.
What are the key properties of 5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol?
5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol has a molecular weight of 230.72 g/mol, XLogP of 2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 142600990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).