6-methylchromen-2-one;sulfuryl dichloride

C10H8Cl2O4S — CID 174587429

IUPAC6-methylchromen-2-one;sulfuryl dichloride
SMILESCc1ccc2oc(=O)ccc2c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C10H8O2.Cl2O2S/c1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-5(2,3)4/h2-6H,1H3;
InChIKeySMOMBQBHXLMKKF-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.81
Rot. Bonds

About 6-methylchromen-2-one;sulfuryl dichloride

6-methylchromen-2-one;sulfuryl dichloride (PubChem CID 174587429) has the molecular formula C10H8Cl2O4S and a molecular weight of 295.14 g/mol. Its IUPAC name is 6-methylchromen-2-one;sulfuryl dichloride.

Molecular Properties

Compound Name6-methylchromen-2-one;sulfuryl dichloride
PubChem CID174587429
Molecular FormulaC10H8Cl2O4S
Molecular Weight295.14 g/mol
Exact Mass293.95
IUPAC Name6-methylchromen-2-one;sulfuryl dichloride
SMILESCc1ccc2oc(=O)ccc2c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C10H8O2.Cl2O2S/c1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-5(2,3)4/h2-6H,1H3;
InChIKeySMOMBQBHXLMKKF-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylchromen-2-one;sulfuryl dichloride?
The IUPAC name of 6-methylchromen-2-one;sulfuryl dichloride (CID 174587429) is 6-methylchromen-2-one;sulfuryl dichloride.
What is the SMILES notation for 6-methylchromen-2-one;sulfuryl dichloride?
The canonical SMILES for 6-methylchromen-2-one;sulfuryl dichloride is Cc1ccc2oc(=O)ccc2c1.O=S(=O)(Cl)Cl.
What is the InChIKey of 6-methylchromen-2-one;sulfuryl dichloride?
The InChIKey is SMOMBQBHXLMKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.Cl2O2S/c1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-5(2,3)4/h2-6H,1H3;.
What are the key properties of 6-methylchromen-2-one;sulfuryl dichloride?
6-methylchromen-2-one;sulfuryl dichloride has a molecular weight of 295.14 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylchromen-2-one;sulfuryl dichloride is sourced from PubChem (CID 174587429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).