(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol

C9H9ClOS — CID 713733

IUPAC(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol
SMILESO[C@H]1CCSc2ccc(Cl)cc21
InChIInChI=1S/C9H9ClOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2/t8-/m0/s1
InChIKeyKGOKMXKVFZSSOE-QMMMGPOBSA-N
MW200.69 g/mol
LogP2.87
Rot. Bonds

About (4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol

(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol (PubChem CID 713733) has the molecular formula C9H9ClOS and a molecular weight of 200.69 g/mol. Its IUPAC name is (4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol.

Molecular Properties

Compound Name(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol
PubChem CID713733
Molecular FormulaC9H9ClOS
Molecular Weight200.69 g/mol
Exact Mass200.01
IUPAC Name(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol
SMILESO[C@H]1CCSc2ccc(Cl)cc21
InChIInChI=1S/C9H9ClOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2/t8-/m0/s1
InChIKeyKGOKMXKVFZSSOE-QMMMGPOBSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol?
The IUPAC name of (4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol (CID 713733) is (4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol.
What is the SMILES notation for (4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol?
The canonical SMILES for (4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol is O[C@H]1CCSc2ccc(Cl)cc21.
What is the InChIKey of (4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol?
The InChIKey is KGOKMXKVFZSSOE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9ClOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2/t8-/m0/s1.
What are the key properties of (4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol?
(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol has a molecular weight of 200.69 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-ol is sourced from PubChem (CID 713733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).