3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride

C9H11ClOS — CID 175204383

IUPAC3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride
SMILESCl.O=S1CCCc2ccccc21
InChIInChI=1S/C9H10OS.ClH/c10-11-7-3-5-8-4-1-2-6-9(8)11;/h1-2,4,6H,3,5,7H2;1H
InChIKeyMCWDMQDCHOALOY-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.16
Rot. Bonds

About 3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride

3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride (PubChem CID 175204383) has the molecular formula C9H11ClOS and a molecular weight of 202.71 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride
PubChem CID175204383
Molecular FormulaC9H11ClOS
Molecular Weight202.71 g/mol
Exact Mass202.02
IUPAC Name3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride
SMILESCl.O=S1CCCc2ccccc21
InChIInChI=1S/C9H10OS.ClH/c10-11-7-3-5-8-4-1-2-6-9(8)11;/h1-2,4,6H,3,5,7H2;1H
InChIKeyMCWDMQDCHOALOY-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12582397
nitric acid;1,2,3,4-tetrahydronaphthalene
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(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
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2,3-dihydro-1H-indene;hypobromous acid
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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride?
The IUPAC name of 3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride (CID 175204383) is 3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride?
The canonical SMILES for 3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride is Cl.O=S1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride?
The InChIKey is MCWDMQDCHOALOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS.ClH/c10-11-7-3-5-8-4-1-2-6-9(8)11;/h1-2,4,6H,3,5,7H2;1H.
What are the key properties of 3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride?
3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride has a molecular weight of 202.71 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride is sourced from PubChem (CID 175204383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).