(4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol

C9H9ClOS — CID 82886568

IUPAC(4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol
SMILESO[C@H]1CSCc2c(Cl)cccc21
InChIInChI=1S/C9H9ClOS/c10-8-3-1-2-6-7(8)4-12-5-9(6)11/h1-3,9,11H,4-5H2/t9-/m0/s1
InChIKeyBIMVDTMXJKMJJF-VIFPVBQESA-N
MW200.69 g/mol
LogP2.62
Rot. Bonds

About (4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol

(4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol (PubChem CID 82886568) has the molecular formula C9H9ClOS and a molecular weight of 200.69 g/mol. Its IUPAC name is (4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol.

Molecular Properties

Compound Name(4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol
PubChem CID82886568
Molecular FormulaC9H9ClOS
Molecular Weight200.69 g/mol
Exact Mass200.01
IUPAC Name(4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol
SMILESO[C@H]1CSCc2c(Cl)cccc21
InChIInChI=1S/C9H9ClOS/c10-8-3-1-2-6-7(8)4-12-5-9(6)11/h1-3,9,11H,4-5H2/t9-/m0/s1
InChIKeyBIMVDTMXJKMJJF-VIFPVBQESA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-7,8-dichloro-3,4-dihydro-1H-isothiochromen-4-ol
CID 107311182
8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
CID 82887429
(4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol
CID 82885880
7-chloro-2,3-dihydro-1-benzothiophen-3-ol
CID 13162405
5-chloro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
CID 82887640
8-chloro-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol
CID 105356551
(4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
CID 107898639
(4R)-7-chloro-8-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
CID 102864771
(4S)-7-chloro-8-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
CID 102864772
8-chloro-N-ethyl-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82888098
(4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886779
7,8-dichloro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 107311199

Frequently Asked Questions

What is the IUPAC name of (4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol?
The IUPAC name of (4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol (CID 82886568) is (4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol.
What is the SMILES notation for (4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol?
The canonical SMILES for (4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol is O[C@H]1CSCc2c(Cl)cccc21.
What is the InChIKey of (4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol?
The InChIKey is BIMVDTMXJKMJJF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9ClOS/c10-8-3-1-2-6-7(8)4-12-5-9(6)11/h1-3,9,11H,4-5H2/t9-/m0/s1.
What are the key properties of (4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol?
(4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol has a molecular weight of 200.69 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol is sourced from PubChem (CID 82886568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).