butane-2,3-dithione

C4H6S2 — CID 19009301

IUPACbutane-2,3-dithione
SMILESCC(=S)C(C)=S
InChIInChI=1S/C4H6S2/c1-3(5)4(2)6/h1-2H3
InChIKeyRWMTWVSPJPEEHY-UHFFFAOYSA-N
MW118.23 g/mol
LogP1.77
Rot. Bonds1

About butane-2,3-dithione

butane-2,3-dithione (PubChem CID 19009301) has the molecular formula C4H6S2 and a molecular weight of 118.23 g/mol. Its IUPAC name is butane-2,3-dithione.

Molecular Properties

Compound Namebutane-2,3-dithione
PubChem CID19009301
Molecular FormulaC4H6S2
Molecular Weight118.23 g/mol
Exact Mass117.99
IUPAC Namebutane-2,3-dithione
SMILESCC(=S)C(C)=S
InChIInChI=1S/C4H6S2/c1-3(5)4(2)6/h1-2H3
InChIKeyRWMTWVSPJPEEHY-UHFFFAOYSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butane-2,3-dithione?
The IUPAC name of butane-2,3-dithione (CID 19009301) is butane-2,3-dithione.
What is the SMILES notation for butane-2,3-dithione?
The canonical SMILES for butane-2,3-dithione is CC(=S)C(C)=S.
What is the InChIKey of butane-2,3-dithione?
The InChIKey is RWMTWVSPJPEEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6S2/c1-3(5)4(2)6/h1-2H3.
What are the key properties of butane-2,3-dithione?
butane-2,3-dithione has a molecular weight of 118.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane-2,3-dithione is sourced from PubChem (CID 19009301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).