2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide

C10H10O3S — CID 16639796

IUPAC2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide
SMILESO=S1(=O)c2ccccc2C2OCCC21
InChIInChI=1S/C10H10O3S/c11-14(12)8-4-2-1-3-7(8)10-9(14)5-6-13-10/h1-4,9-10H,5-6H2
InChIKeyNMKCSNVMJJKZPN-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.30
Rot. Bonds

About 2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide

2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide (PubChem CID 16639796) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide.

Molecular Properties

Compound Name2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide
PubChem CID16639796
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide
SMILESO=S1(=O)c2ccccc2C2OCCC21
InChIInChI=1S/C10H10O3S/c11-14(12)8-4-2-1-3-7(8)10-9(14)5-6-13-10/h1-4,9-10H,5-6H2
InChIKeyNMKCSNVMJJKZPN-UHFFFAOYSA-N
XLogP1.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide?
The IUPAC name of 2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide (CID 16639796) is 2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide.
What is the SMILES notation for 2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide?
The canonical SMILES for 2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide is O=S1(=O)c2ccccc2C2OCCC21.
What is the InChIKey of 2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide?
The InChIKey is NMKCSNVMJJKZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c11-14(12)8-4-2-1-3-7(8)10-9(14)5-6-13-10/h1-4,9-10H,5-6H2.
What are the key properties of 2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide?
2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide has a molecular weight of 210.25 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,8b-tetrahydro-[1]benzothiolo[3,2-b]furan 4,4-dioxide is sourced from PubChem (CID 16639796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).