2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol

C12H26S7 — CID 142413458

IUPAC2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol
SMILESCC(CS)SC(CS)CSCC(CS)SC(C)CS
InChIInChI=1S/C12H26S7/c1-9(3-13)18-11(5-15)7-17-8-12(6-16)19-10(2)4-14/h9-16H,3-8H2,1-2H3
InChIKeyQFTQIUSQEAXRIP-UHFFFAOYSA-N
MW394.81 g/mol
LogP4.42
Rot. Bonds12

About 2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol

2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol (PubChem CID 142413458) has the molecular formula C12H26S7 and a molecular weight of 394.81 g/mol. Its IUPAC name is 2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol.

Molecular Properties

Compound Name2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol
PubChem CID142413458
Molecular FormulaC12H26S7
Molecular Weight394.81 g/mol
Exact Mass394.01
IUPAC Name2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol
SMILESCC(CS)SC(CS)CSCC(CS)SC(C)CS
InChIInChI=1S/C12H26S7/c1-9(3-13)18-11(5-15)7-17-8-12(6-16)19-10(2)4-14/h9-16H,3-8H2,1-2H3
InChIKeyQFTQIUSQEAXRIP-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol with MolForge

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Related Compounds

2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol
CID 146308393
2-(1-ethylsulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 170090551
methane;3-(sulfanylmethylsulfanyl)-2-[1-sulfanyl-3-(sulfanylmethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol
CID 159406281
3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol
CID 23083486
sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol)
CID 87203826
3-(2-sulfanylethylsulfanyl)-2-[1-(2-sulfanylethylsulfanyl)butan-2-ylsulfanyl]propane-1-thiol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol;3-(2-sulfanylethylsulfanyl)-2-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol
CID 160834171
3-[2-[2,3-bis(sulfanyl)propylsulfanyl]-3-sulfanylpropyl]sulfanylpropane-1,2-dithiol
CID 161244767
4-[1-sulfanyl-3-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropan-2-yl]sulfanylbutane-2-thiol
CID 175462193
2-methyl-3-(2-methylbutylsulfanyl)propane-1-thiol
CID 107766506
1-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylbutane-2-thiol
CID 170374294
2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 20695357
1-(2-hydroxyethylsulfanyl)-3-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylpropan-2-ol;3-propylsulfanyl-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol;3-(2-sulfanylethylsulfanyl)-2-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol
CID 158693477

Frequently Asked Questions

What is the IUPAC name of 2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol?
The IUPAC name of 2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol (CID 142413458) is 2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol.
What is the SMILES notation for 2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol?
The canonical SMILES for 2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol is CC(CS)SC(CS)CSCC(CS)SC(C)CS.
What is the InChIKey of 2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol?
The InChIKey is QFTQIUSQEAXRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26S7/c1-9(3-13)18-11(5-15)7-17-8-12(6-16)19-10(2)4-14/h9-16H,3-8H2,1-2H3.
What are the key properties of 2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol?
2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol has a molecular weight of 394.81 g/mol, XLogP of 4.42, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol is sourced from PubChem (CID 142413458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).