1-(1-sulfanylethylsulfanyl)propane-1-thiol

C5H12S3 — CID 139489732

IUPAC1-(1-sulfanylethylsulfanyl)propane-1-thiol
SMILESCCC(S)SC(C)S
InChIInChI=1S/C5H12S3/c1-3-5(7)8-4(2)6/h4-7H,3H2,1-2H3
InChIKeyRMOXKHSZERODRA-UHFFFAOYSA-N
MW168.35 g/mol
LogP2.66
Rot. Bonds3

About 1-(1-sulfanylethylsulfanyl)propane-1-thiol

1-(1-sulfanylethylsulfanyl)propane-1-thiol (PubChem CID 139489732) has the molecular formula C5H12S3 and a molecular weight of 168.35 g/mol. Its IUPAC name is 1-(1-sulfanylethylsulfanyl)propane-1-thiol.

Molecular Properties

Compound Name1-(1-sulfanylethylsulfanyl)propane-1-thiol
PubChem CID139489732
Molecular FormulaC5H12S3
Molecular Weight168.35 g/mol
Exact Mass168.01
IUPAC Name1-(1-sulfanylethylsulfanyl)propane-1-thiol
SMILESCCC(S)SC(C)S
InChIInChI=1S/C5H12S3/c1-3-5(7)8-4(2)6/h4-7H,3H2,1-2H3
InChIKeyRMOXKHSZERODRA-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-sulfanylpropylsulfanyl)propane-1-thiol
CID 18185507
sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol)
CID 87203826
1-[2,3-bis(1-sulfanylethylsulfanyl)propylsulfanyl]ethanethiol
CID 87111018
1-(diethylamino)ethanethiol;hydrochloride
CID 23617604
1-hydroxypropyl(trimethyl)phosphanium
CID 175448863
Silabutane-2-thiol
CID 21425877
1-(diethylaminosulfanyl)ethanethiol
CID 130247026
(2S)-2-propan-2-ylsulfanylbutane
CID 92859736
1-(methylamino)propane-1-thiol;hydrochloride
CID 174383519
(2R)-2-propan-2-ylsulfanylbutane
CID 92859735
1-[2,2-bis(1-sulfanylpropylsulfanyl)propylsulfanyl]propane-1-thiol
CID 141021519
2-methylbutane
CID 158117812

Frequently Asked Questions

What is the IUPAC name of 1-(1-sulfanylethylsulfanyl)propane-1-thiol?
The IUPAC name of 1-(1-sulfanylethylsulfanyl)propane-1-thiol (CID 139489732) is 1-(1-sulfanylethylsulfanyl)propane-1-thiol.
What is the SMILES notation for 1-(1-sulfanylethylsulfanyl)propane-1-thiol?
The canonical SMILES for 1-(1-sulfanylethylsulfanyl)propane-1-thiol is CCC(S)SC(C)S.
What is the InChIKey of 1-(1-sulfanylethylsulfanyl)propane-1-thiol?
The InChIKey is RMOXKHSZERODRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S3/c1-3-5(7)8-4(2)6/h4-7H,3H2,1-2H3.
What are the key properties of 1-(1-sulfanylethylsulfanyl)propane-1-thiol?
1-(1-sulfanylethylsulfanyl)propane-1-thiol has a molecular weight of 168.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-sulfanylethylsulfanyl)propane-1-thiol is sourced from PubChem (CID 139489732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).