ethane;methanethione;sulfane;tritium monohydride

C3H12S2 — CID 157396601

IUPACethane;methanethione;sulfane;tritium monohydride
SMILESC=S.CC.S.[H][3H]
InChIInChI=1S/C2H6.CH2S.H2S.H2/c2*1-2;;/h1-2H3;1H2;1H2;1H/i;;;1+2
InChIKeyBMQIQAFEMNXXES-SUNKFXMWSA-N
MW114.27 g/mol
LogP2.00
Rot. Bonds

About ethane;methanethione;sulfane;tritium monohydride

ethane;methanethione;sulfane;tritium monohydride (PubChem CID 157396601) has the molecular formula C3H12S2 and a molecular weight of 114.27 g/mol. Its IUPAC name is ethane;methanethione;sulfane;tritium monohydride.

Molecular Properties

Compound Nameethane;methanethione;sulfane;tritium monohydride
PubChem CID157396601
Molecular FormulaC3H12S2
Molecular Weight114.27 g/mol
Exact Mass114.05
IUPAC Nameethane;methanethione;sulfane;tritium monohydride
SMILESC=S.CC.S.[H][3H]
InChIInChI=1S/C2H6.CH2S.H2S.H2/c2*1-2;;/h1-2H3;1H2;1H2;1H/i;;;1+2
InChIKeyBMQIQAFEMNXXES-SUNKFXMWSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 88724827
methane;methanethione
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Frequently Asked Questions

What is the IUPAC name of ethane;methanethione;sulfane;tritium monohydride?
The IUPAC name of ethane;methanethione;sulfane;tritium monohydride (CID 157396601) is ethane;methanethione;sulfane;tritium monohydride.
What is the SMILES notation for ethane;methanethione;sulfane;tritium monohydride?
The canonical SMILES for ethane;methanethione;sulfane;tritium monohydride is C=S.CC.S.[H][3H].
What is the InChIKey of ethane;methanethione;sulfane;tritium monohydride?
The InChIKey is BMQIQAFEMNXXES-SUNKFXMWSA-N. The full InChI is InChI=1S/C2H6.CH2S.H2S.H2/c2*1-2;;/h1-2H3;1H2;1H2;1H/i;;;1+2.
What are the key properties of ethane;methanethione;sulfane;tritium monohydride?
ethane;methanethione;sulfane;tritium monohydride has a molecular weight of 114.27 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanethione;sulfane;tritium monohydride is sourced from PubChem (CID 157396601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).