dithiirane-3,3-dithiol

CH2S4 — CID 15531076

IUPACdithiirane-3,3-dithiol
SMILESSC1(S)SS1
InChIInChI=1S/CH2S4/c2-1(3)4-5-1/h2-3H
InChIKeyQQWTUTNWNDLQID-UHFFFAOYSA-N
MW142.29 g/mol
LogP1.85
Rot. Bonds

About dithiirane-3,3-dithiol

dithiirane-3,3-dithiol (PubChem CID 15531076) has the molecular formula CH2S4 and a molecular weight of 142.29 g/mol. Its IUPAC name is dithiirane-3,3-dithiol.

Molecular Properties

Compound Namedithiirane-3,3-dithiol
PubChem CID15531076
Molecular FormulaCH2S4
Molecular Weight142.29 g/mol
Exact Mass141.90
IUPAC Namedithiirane-3,3-dithiol
SMILESSC1(S)SS1
InChIInChI=1S/CH2S4/c2-1(3)4-5-1/h2-3H
InChIKeyQQWTUTNWNDLQID-UHFFFAOYSA-N
XLogP1.85
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dithiirane-3,3-dithiol?
The IUPAC name of dithiirane-3,3-dithiol (CID 15531076) is dithiirane-3,3-dithiol.
What is the SMILES notation for dithiirane-3,3-dithiol?
The canonical SMILES for dithiirane-3,3-dithiol is SC1(S)SS1.
What is the InChIKey of dithiirane-3,3-dithiol?
The InChIKey is QQWTUTNWNDLQID-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2S4/c2-1(3)4-5-1/h2-3H.
What are the key properties of dithiirane-3,3-dithiol?
dithiirane-3,3-dithiol has a molecular weight of 142.29 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dithiirane-3,3-dithiol is sourced from PubChem (CID 15531076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).