2-methylidenethiane 1,1-dioxide

C6H10O2S — CID 10057630

IUPAC2-methylidenethiane 1,1-dioxide
SMILESC=C1CCCCS1(=O)=O
InChIInChI=1S/C6H10O2S/c1-6-4-2-3-5-9(6,7)8/h1-5H2
InChIKeyXWPLWYJKSZHAMN-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.10
Rot. Bonds

About 2-methylidenethiane 1,1-dioxide

2-methylidenethiane 1,1-dioxide (PubChem CID 10057630) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-methylidenethiane 1,1-dioxide.

Molecular Properties

Compound Name2-methylidenethiane 1,1-dioxide
PubChem CID10057630
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2-methylidenethiane 1,1-dioxide
SMILESC=C1CCCCS1(=O)=O
InChIInChI=1S/C6H10O2S/c1-6-4-2-3-5-9(6,7)8/h1-5H2
InChIKeyXWPLWYJKSZHAMN-UHFFFAOYSA-N
XLogP1.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiacyclohex-2-ene, 1,1-dioxide
CID 140144
2-Methylidene-1lambda6-thiolane-1,1-dione
CID 10351733
Tetrahydrothieno[3,4-b][1,4]dithiin-6,6-dioxide
CID 14416613
5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
CID 13330834
5-Propyl-2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide
CID 13651847
4-methylenetetrahydro-2H-thiopyran 1,1-dioxide
CID 64663844
4-Ethenylthiane 1,1-dioxide
CID 89424204
3-Ethenylthiane 1,1-dioxide
CID 170415811
3-Methylidenethiane 1,1-dioxide
CID 64664055
2-Prop-2-enylthiane 1,1-dioxide
CID 70020505
3,5-Dimethylidenethiane 1,1-dioxide
CID 86205641
(Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride
CID 117265899

Frequently Asked Questions

What is the IUPAC name of 2-methylidenethiane 1,1-dioxide?
The IUPAC name of 2-methylidenethiane 1,1-dioxide (CID 10057630) is 2-methylidenethiane 1,1-dioxide.
What is the SMILES notation for 2-methylidenethiane 1,1-dioxide?
The canonical SMILES for 2-methylidenethiane 1,1-dioxide is C=C1CCCCS1(=O)=O.
What is the InChIKey of 2-methylidenethiane 1,1-dioxide?
The InChIKey is XWPLWYJKSZHAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-6-4-2-3-5-9(6,7)8/h1-5H2.
What are the key properties of 2-methylidenethiane 1,1-dioxide?
2-methylidenethiane 1,1-dioxide has a molecular weight of 146.21 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenethiane 1,1-dioxide is sourced from PubChem (CID 10057630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).