carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane

C7H16OS4 — CID 174664994

IUPACcarbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane
SMILESCC(C)SSC(C)C.O=C(S)S
InChIInChI=1S/C6H14S2.CH2OS2/c1-5(2)7-8-6(3)4;2-1(3)4/h5-6H,1-4H3;(H2,2,3,4)
InChIKeyHMOKKRCSKIRWBT-UHFFFAOYSA-N
MW244.47 g/mol
LogP4.15
Rot. Bonds3

About carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane

carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane (PubChem CID 174664994) has the molecular formula C7H16OS4 and a molecular weight of 244.47 g/mol. Its IUPAC name is carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane.

Molecular Properties

Compound Namecarbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane
PubChem CID174664994
Molecular FormulaC7H16OS4
Molecular Weight244.47 g/mol
Exact Mass244.01
IUPAC Namecarbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane
SMILESCC(C)SSC(C)C.O=C(S)S
InChIInChI=1S/C6H14S2.CH2OS2/c1-5(2)7-8-6(3)4;2-1(3)4/h5-6H,1-4H3;(H2,2,3,4)
InChIKeyHMOKKRCSKIRWBT-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;2-(propan-2-yldisulfanyl)propane
CID 174843225
hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane
CID 158608952
carbonodithioic S,S-acid;neodymium
CID 87149190
2-methylsulfanylpropanethioic S-acid
CID 150375573
(2S)-2-aminopropanethioic S-acid;hydrochloride
CID 88799460
carbonodithioic S,S-acid;(ethyldisulfanyl)ethane
CID 175110136
2-(trisulfanyl)propanoic acid
CID 140986532
methylsulfanylmethanethioic S-acid
CID 13063886
propan-2-ylcarbamothioic S-acid
CID 13025506
propan-2-ylsulfanylmethanedithioic acid
CID 175983905
azane;2-(1-carboxyethyldisulfanyl)propanoic acid
CID 173332153
bis(carbamothioic S-acid);bis(2-methylpropane);propane
CID 173455372

Frequently Asked Questions

What is the IUPAC name of carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane?
The IUPAC name of carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane (CID 174664994) is carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane.
What is the SMILES notation for carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane?
The canonical SMILES for carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane is CC(C)SSC(C)C.O=C(S)S.
What is the InChIKey of carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane?
The InChIKey is HMOKKRCSKIRWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S2.CH2OS2/c1-5(2)7-8-6(3)4;2-1(3)4/h5-6H,1-4H3;(H2,2,3,4).
What are the key properties of carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane?
carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane has a molecular weight of 244.47 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane is sourced from PubChem (CID 174664994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).