6-chloro-3,4-dihydro-2H-thiochromen-4-ol

C9H9ClOS — CID 2739737

IUPAC6-chloro-3,4-dihydro-2H-thiochromen-4-ol
SMILESOC1CCSc2ccc(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
InChIKeyKGOKMXKVFZSSOE-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.87
Rot. Bonds

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

6-chloro-3,4-dihydro-2H-thiochromen-4-ol (PubChem CID 2739737) has the molecular formula C9H9ClOS and a molecular weight of 200.69 g/mol. Its IUPAC name is 6-chloro-3,4-dihydro-2H-thiochromen-4-ol.

Molecular Properties

Compound Name6-chloro-3,4-dihydro-2H-thiochromen-4-ol
PubChem CID2739737
Molecular FormulaC9H9ClOS
Molecular Weight200.69 g/mol
Exact Mass200.01
IUPAC Name6-chloro-3,4-dihydro-2H-thiochromen-4-ol
SMILESOC1CCSc2ccc(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
InChIKeyKGOKMXKVFZSSOE-UHFFFAOYSA-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 6-chloro-3,4-dihydro-2H-thiochromen-4-ol?
The IUPAC name of 6-chloro-3,4-dihydro-2H-thiochromen-4-ol (CID 2739737) is 6-chloro-3,4-dihydro-2H-thiochromen-4-ol.
What is the SMILES notation for 6-chloro-3,4-dihydro-2H-thiochromen-4-ol?
The canonical SMILES for 6-chloro-3,4-dihydro-2H-thiochromen-4-ol is OC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-3,4-dihydro-2H-thiochromen-4-ol?
The InChIKey is KGOKMXKVFZSSOE-UHFFFAOYSA-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.
What are the key properties of 6-chloro-3,4-dihydro-2H-thiochromen-4-ol?
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 6-chloro-3,4-dihydro-2H-thiochromen-4-ol is sourced from PubChem (CID 2739737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).