5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C7H7ClO2S — CID 66919429

IUPAC5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESClCc1scc2c1OCCO2
InChIInChI=1S/C7H7ClO2S/c8-3-6-7-5(4-11-6)9-1-2-10-7/h4H,1-3H2
InChIKeySFTLDNMXQWGURR-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.26
Rot. Bonds1

About 5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 66919429) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is 5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID66919429
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Name5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESClCc1scc2c1OCCO2
InChIInChI=1S/C7H7ClO2S/c8-3-6-7-5(4-11-6)9-1-2-10-7/h4H,1-3H2
InChIKeySFTLDNMXQWGURR-UHFFFAOYSA-N
XLogP2.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonitrile
CID 7537659
5-(Trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 134969073
5-Methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 23553881
5-Ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 68087843
5-Ethenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 57809460
5-Propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 58029729
5-Prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 66779635
5-Ethynyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 87365449
CID 89189760
CID 89189760
5-(2,3,7,7a-Tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 90278404
5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 118281565
5-(Bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 129983572

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 66919429) is 5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is ClCc1scc2c1OCCO2.
What is the InChIKey of 5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is SFTLDNMXQWGURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c8-3-6-7-5(4-11-6)9-1-2-10-7/h4H,1-3H2.
What are the key properties of 5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 190.65 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 66919429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).