thiolane-3-thiol

C4H8S2 — CID 22556280

IUPACthiolane-3-thiol
SMILESSC1CCSC1
InChIInChI=1S/C4H8S2/c5-4-1-2-6-3-4/h4-5H,1-3H2
InChIKeyHWPKEMDGLXSFDR-UHFFFAOYSA-N
MW120.24 g/mol
LogP1.42
Rot. Bonds

About thiolane-3-thiol

thiolane-3-thiol (PubChem CID 22556280) has the molecular formula C4H8S2 and a molecular weight of 120.24 g/mol. Its IUPAC name is thiolane-3-thiol.

Molecular Properties

Compound Namethiolane-3-thiol
PubChem CID22556280
Molecular FormulaC4H8S2
Molecular Weight120.24 g/mol
Exact Mass120.01
IUPAC Namethiolane-3-thiol
SMILESSC1CCSC1
InChIInChI=1S/C4H8S2/c5-4-1-2-6-3-4/h4-5H,1-3H2
InChIKeyHWPKEMDGLXSFDR-UHFFFAOYSA-N
XLogP1.42
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.24
LogP ≤ 51.42
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

(3S)-3-methylthiolane
CID 58024233
3-sulfanylthiane-4-carboxylic acid
CID 139880190
(4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran
CID 22215290
1,4-oxathiane-2-thiol
CID 57449077
thiolan-3-yl 2-methylcyclopropane-1-carboxylate
CID 130708259
(2R)-thiolane-2-thiol
CID 88653030
sodium thiolan-3-ylmethanethiolate
CID 20706984
3-(2,2-dimethylpropyl)thiolane
CID 58797584
thian-3-ylmethanethiol
CID 83678909
thiolan-3-yl 2-hydroxyacetate
CID 131081723
1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one
CID 83816303
1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran-7-ol
CID 170085365

Frequently Asked Questions

What is the IUPAC name of thiolane-3-thiol?
The IUPAC name of thiolane-3-thiol (CID 22556280) is thiolane-3-thiol.
What is the SMILES notation for thiolane-3-thiol?
The canonical SMILES for thiolane-3-thiol is SC1CCSC1.
What is the InChIKey of thiolane-3-thiol?
The InChIKey is HWPKEMDGLXSFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S2/c5-4-1-2-6-3-4/h4-5H,1-3H2.
What are the key properties of thiolane-3-thiol?
thiolane-3-thiol has a molecular weight of 120.24 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiolane-3-thiol is sourced from PubChem (CID 22556280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).