(1R,3S)-1-oxothiolane-3-thiol

C4H8OS2 — CID 10920566

IUPAC(1R,3S)-1-oxothiolane-3-thiol
SMILESO=[S@@]1CC[C@H](S)C1
InChIInChI=1S/C4H8OS2/c5-7-2-1-4(6)3-7/h4,6H,1-3H2/t4-,7+/m0/s1
InChIKeyMXUIEFSYPPFKIF-MHTLYPKNSA-N
MW136.24 g/mol
LogP0.44
Rot. Bonds

About (1R,3S)-1-oxothiolane-3-thiol

(1R,3S)-1-oxothiolane-3-thiol (PubChem CID 10920566) has the molecular formula C4H8OS2 and a molecular weight of 136.24 g/mol. Its IUPAC name is (1R,3S)-1-oxothiolane-3-thiol.

Molecular Properties

Compound Name(1R,3S)-1-oxothiolane-3-thiol
PubChem CID10920566
Molecular FormulaC4H8OS2
Molecular Weight136.24 g/mol
Exact Mass136.00
IUPAC Name(1R,3S)-1-oxothiolane-3-thiol
SMILESO=[S@@]1CC[C@H](S)C1
InChIInChI=1S/C4H8OS2/c5-7-2-1-4(6)3-7/h4,6H,1-3H2/t4-,7+/m0/s1
InChIKeyMXUIEFSYPPFKIF-MHTLYPKNSA-N
XLogP0.44
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Tetramethylene sulfoxide
CID 1128
2-Methylthiolane 1-oxide
CID 550020
3-Sulfanyl-1lambda~6~-thiolane-1,1-dione
CID 3865522
Sulfolanethiol
CID 20393593
Thiosulfolane
CID 70626215
Thiopropanyl sulfoxide
CID 87366263
(3S)-1-oxothiolane-3-thiol
CID 14610926
(2R)-2-methylthiolane 1-oxide
CID 21681071
4-Methyl-1,3-dithiolane 1-oxide
CID 123585357
trans-Dimethyldithiolanone
CID 129675409
Tetramethylene sulfoxide hydrochloride
CID 129811920
(1R)-2,2-dimethyl-1,3-dithiolane 1-oxide
CID 134925934

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-1-oxothiolane-3-thiol?
The IUPAC name of (1R,3S)-1-oxothiolane-3-thiol (CID 10920566) is (1R,3S)-1-oxothiolane-3-thiol.
What is the SMILES notation for (1R,3S)-1-oxothiolane-3-thiol?
The canonical SMILES for (1R,3S)-1-oxothiolane-3-thiol is O=[S@@]1CC[C@H](S)C1.
What is the InChIKey of (1R,3S)-1-oxothiolane-3-thiol?
The InChIKey is MXUIEFSYPPFKIF-MHTLYPKNSA-N. The full InChI is InChI=1S/C4H8OS2/c5-7-2-1-4(6)3-7/h4,6H,1-3H2/t4-,7+/m0/s1.
What are the key properties of (1R,3S)-1-oxothiolane-3-thiol?
(1R,3S)-1-oxothiolane-3-thiol has a molecular weight of 136.24 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-1-oxothiolane-3-thiol is sourced from PubChem (CID 10920566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).