butane-2,3-dithiol

C4H10S2 — CID 548353

IUPACbutane-2,3-dithiol
SMILESCC(S)C(C)S
InChIInChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3
InChIKeyTWWSEEHCVDRRRI-UHFFFAOYSA-N
MW122.26 g/mol
LogP1.62
Rot. Bonds1

About butane-2,3-dithiol

butane-2,3-dithiol (PubChem CID 548353) has the molecular formula C4H10S2 and a molecular weight of 122.26 g/mol. Its IUPAC name is butane-2,3-dithiol.

Molecular Properties

Compound Namebutane-2,3-dithiol
PubChem CID548353
Molecular FormulaC4H10S2
Molecular Weight122.26 g/mol
Exact Mass122.02
IUPAC Namebutane-2,3-dithiol
SMILESCC(S)C(C)S
InChIInChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3
InChIKeyTWWSEEHCVDRRRI-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane-2,3-dithiol?
The IUPAC name of butane-2,3-dithiol (CID 548353) is butane-2,3-dithiol.
What is the SMILES notation for butane-2,3-dithiol?
The canonical SMILES for butane-2,3-dithiol is CC(S)C(C)S.
What is the InChIKey of butane-2,3-dithiol?
The InChIKey is TWWSEEHCVDRRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3.
What are the key properties of butane-2,3-dithiol?
butane-2,3-dithiol has a molecular weight of 122.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane-2,3-dithiol is sourced from PubChem (CID 548353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).