1-(1-sulfanylpropylsulfinyl)propane-1-thiol

C6H14OS3 — CID 87366263

IUPAC1-(1-sulfanylpropylsulfinyl)propane-1-thiol
SMILESCCC(S)S(=O)C(S)CC
InChIInChI=1S/C6H14OS3/c1-3-5(8)10(7)6(9)4-2/h5-6,8-9H,3-4H2,1-2H3
InChIKeyHKOSDMXJQFDAOB-UHFFFAOYSA-N
MW198.38 g/mol
LogP2.07
Rot. Bonds4

About 1-(1-sulfanylpropylsulfinyl)propane-1-thiol

1-(1-sulfanylpropylsulfinyl)propane-1-thiol (PubChem CID 87366263) has the molecular formula C6H14OS3 and a molecular weight of 198.38 g/mol. Its IUPAC name is 1-(1-sulfanylpropylsulfinyl)propane-1-thiol.

Molecular Properties

Compound Name1-(1-sulfanylpropylsulfinyl)propane-1-thiol
PubChem CID87366263
Molecular FormulaC6H14OS3
Molecular Weight198.38 g/mol
Exact Mass198.02
IUPAC Name1-(1-sulfanylpropylsulfinyl)propane-1-thiol
SMILESCCC(S)S(=O)C(S)CC
InChIInChI=1S/C6H14OS3/c1-3-5(8)10(7)6(9)4-2/h5-6,8-9H,3-4H2,1-2H3
InChIKeyHKOSDMXJQFDAOB-UHFFFAOYSA-N
XLogP2.07
TPSA17.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1'-Sulfinylbis(propane)
CID 20252
Methyl 1-(methylsulfinyl)propyl disulfide
CID 14704626
2-Methyl-1lambda~4~,3-dithian-1-one
CID 27883
Propyl 1-(propylsulfinyl)propyl disulfide
CID 85752107
1-(Methylsulfinyl)propyl propyl disulfide
CID 14704627
Methyl 1-(propylsulfinyl)propyl disulfide
CID 101415958
Butane, 1-(ethylsulfinyl)-
CID 533730
2,2-Dimethyl-1,3-dithiane-1-oxide
CID 535129
2-Methyl-1-[(methylsulfanyl)methanesulfinyl]propane
CID 337793
(1R,3S)-1-oxothiolane-3-thiol
CID 10920566
1-Methylsulfanyl-1-methylsulfinylpentane
CID 12418427
2,4,6-Trimethyl-1,3-dithiane 1-oxide
CID 494306

Frequently Asked Questions

What is the IUPAC name of 1-(1-sulfanylpropylsulfinyl)propane-1-thiol?
The IUPAC name of 1-(1-sulfanylpropylsulfinyl)propane-1-thiol (CID 87366263) is 1-(1-sulfanylpropylsulfinyl)propane-1-thiol.
What is the SMILES notation for 1-(1-sulfanylpropylsulfinyl)propane-1-thiol?
The canonical SMILES for 1-(1-sulfanylpropylsulfinyl)propane-1-thiol is CCC(S)S(=O)C(S)CC.
What is the InChIKey of 1-(1-sulfanylpropylsulfinyl)propane-1-thiol?
The InChIKey is HKOSDMXJQFDAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS3/c1-3-5(8)10(7)6(9)4-2/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 1-(1-sulfanylpropylsulfinyl)propane-1-thiol?
1-(1-sulfanylpropylsulfinyl)propane-1-thiol has a molecular weight of 198.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-sulfanylpropylsulfinyl)propane-1-thiol is sourced from PubChem (CID 87366263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).