1-sulfanylidenethiolane 1-oxide

C4H8OS2 — CID 70626215

IUPAC1-sulfanylidenethiolane 1-oxide
SMILESO=S1(=S)CCCC1
InChIInChI=1S/C4H8OS2/c5-7(6)3-1-2-4-7/h1-4H2
InChIKeyZUUFFCCLYKNJAA-UHFFFAOYSA-N
MW136.24 g/mol
LogP0.53
Rot. Bonds

About 1-sulfanylidenethiolane 1-oxide

1-sulfanylidenethiolane 1-oxide (PubChem CID 70626215) has the molecular formula C4H8OS2 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-sulfanylidenethiolane 1-oxide.

Molecular Properties

Compound Name1-sulfanylidenethiolane 1-oxide
PubChem CID70626215
Molecular FormulaC4H8OS2
Molecular Weight136.24 g/mol
Exact Mass136.00
IUPAC Name1-sulfanylidenethiolane 1-oxide
SMILESO=S1(=S)CCCC1
InChIInChI=1S/C4H8OS2/c5-7(6)3-1-2-4-7/h1-4H2
InChIKeyZUUFFCCLYKNJAA-UHFFFAOYSA-N
XLogP0.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfolane
CID 31347
Tetramethylene sulfoxide
CID 1128
S,S-tetramethylenesulfoximide
CID 11274993
Tetramethylene-D8 sulfone
CID 2733922
2-Methylthiolane 1-oxide
CID 550020
3-Ethylsulfanylthiolane 1,1-dioxide
CID 315894
3-Sulfanyl-1lambda~6~-thiolane-1,1-dione
CID 3865522
(1R,3S)-1-oxothiolane-3-thiol
CID 10920566
Sulpholane-d2
CID 129670923
Tetrahydrothiophene sulfoxide
CID 129676295
2,5-Dimethyl-sulfolane
CID 555247
2-Ethylthiolane 1-oxide
CID 13702250

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylidenethiolane 1-oxide?
The IUPAC name of 1-sulfanylidenethiolane 1-oxide (CID 70626215) is 1-sulfanylidenethiolane 1-oxide.
What is the SMILES notation for 1-sulfanylidenethiolane 1-oxide?
The canonical SMILES for 1-sulfanylidenethiolane 1-oxide is O=S1(=S)CCCC1.
What is the InChIKey of 1-sulfanylidenethiolane 1-oxide?
The InChIKey is ZUUFFCCLYKNJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS2/c5-7(6)3-1-2-4-7/h1-4H2.
What are the key properties of 1-sulfanylidenethiolane 1-oxide?
1-sulfanylidenethiolane 1-oxide has a molecular weight of 136.24 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylidenethiolane 1-oxide is sourced from PubChem (CID 70626215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).