6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol

C10H11ClOS — CID 130792885

IUPAC6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol
SMILESCc1c(Cl)ccc2c1C(S)CCO2
InChIInChI=1S/C10H11ClOS/c1-6-7(11)2-3-8-10(6)9(13)4-5-12-8/h2-3,9,13H,4-5H2,1H3
InChIKeyKENHLZGKSPVTJL-UHFFFAOYSA-N
MW214.72 g/mol
LogP3.40
Rot. Bonds

About 6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol

6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol (PubChem CID 130792885) has the molecular formula C10H11ClOS and a molecular weight of 214.72 g/mol. Its IUPAC name is 6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol.

Molecular Properties

Compound Name6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol
PubChem CID130792885
Molecular FormulaC10H11ClOS
Molecular Weight214.72 g/mol
Exact Mass214.02
IUPAC Name6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol
SMILESCc1c(Cl)ccc2c1C(S)CCO2
InChIInChI=1S/C10H11ClOS/c1-6-7(11)2-3-8-10(6)9(13)4-5-12-8/h2-3,9,13H,4-5H2,1H3
InChIKeyKENHLZGKSPVTJL-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-8-methyl-3,4-dihydro-2H-chromene-4-thiol
CID 130774940
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859
(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961328
5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene
CID 130848796
6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene
CID 130935602
6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene
CID 130951420
7-chloro-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55273084
7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene
CID 130774956
8-chloro-3,4-dihydro-2H-chromene-4-thiol
CID 130760391
(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130691735
(4R)-4-amino-5-ethyl-3,4-dihydro-2H-chromen-6-ol
CID 130699791
(4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol
CID 130044464

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol?
The IUPAC name of 6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol (CID 130792885) is 6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol.
What is the SMILES notation for 6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol?
The canonical SMILES for 6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol is Cc1c(Cl)ccc2c1C(S)CCO2.
What is the InChIKey of 6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol?
The InChIKey is KENHLZGKSPVTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClOS/c1-6-7(11)2-3-8-10(6)9(13)4-5-12-8/h2-3,9,13H,4-5H2,1H3.
What are the key properties of 6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol?
6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol has a molecular weight of 214.72 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol is sourced from PubChem (CID 130792885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).