2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol

C9H20S5 — CID 146308393

IUPAC2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol
SMILESCC(S)CSCC(CS)SC(C)CS
InChIInChI=1S/C9H20S5/c1-7(12)5-13-6-9(4-11)14-8(2)3-10/h7-12H,3-6H2,1-2H3
InChIKeyUPDNDRXICAKKEQ-UHFFFAOYSA-N
MW288.59 g/mol
LogP3.39
Rot. Bonds8

About 2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol

2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol (PubChem CID 146308393) has the molecular formula C9H20S5 and a molecular weight of 288.59 g/mol. Its IUPAC name is 2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol.

Molecular Properties

Compound Name2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol
PubChem CID146308393
Molecular FormulaC9H20S5
Molecular Weight288.59 g/mol
Exact Mass288.02
IUPAC Name2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol
SMILESCC(S)CSCC(CS)SC(C)CS
InChIInChI=1S/C9H20S5/c1-7(12)5-13-6-9(4-11)14-8(2)3-10/h7-12H,3-6H2,1-2H3
InChIKeyUPDNDRXICAKKEQ-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.59
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-sulfanylpropan-2-ylsulfanyl)-3-[3-sulfanyl-2-(1-sulfanylpropan-2-ylsulfanyl)propyl]sulfanylpropane-1-thiol
CID 142413458
2-(1-ethylsulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 170090551
sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol)
CID 87203826
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
4-[1-sulfanyl-3-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropan-2-yl]sulfanylbutane-2-thiol
CID 175462193
1-[3-[2-[2,2-bis(2-sulfanylpropylsulfanyl)ethylsulfanyl]-3-(2-sulfanylpropylsulfanyl)propyl]sulfanyl-2-ethylsulfanylpropyl]sulfanylpropane-2-thiol
CID 91158172
3-[2-[2,3-bis(sulfanyl)propylsulfanyl]-3-sulfanylpropyl]sulfanylpropane-1,2-dithiol
CID 161244767
1-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylbutane-2-thiol
CID 170374294
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
1-prop-2-enylsulfanylpropane-2-thiol
CID 14297241
1-[2,3-bis[2-(2-sulfanylpropylsulfanyl)ethylsulfanyl]propylsulfanyl]propane-1-thiol
CID 90895816

Frequently Asked Questions

What is the IUPAC name of 2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol?
The IUPAC name of 2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol (CID 146308393) is 2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol.
What is the SMILES notation for 2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol?
The canonical SMILES for 2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol is CC(S)CSCC(CS)SC(C)CS.
What is the InChIKey of 2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol?
The InChIKey is UPDNDRXICAKKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S5/c1-7(12)5-13-6-9(4-11)14-8(2)3-10/h7-12H,3-6H2,1-2H3.
What are the key properties of 2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol?
2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol has a molecular weight of 288.59 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol is sourced from PubChem (CID 146308393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).