ethane-1,2-dithiol;propane-1-thiol

C5H14S3 — CID 161052956

IUPACethane-1,2-dithiol;propane-1-thiol
SMILESCCCS.SCCS
InChIInChI=1S/C3H8S.C2H6S2/c1-2-3-4;3-1-2-4/h4H,2-3H2,1H3;3-4H,1-2H2
InChIKeyLPERBLZSVAVOHW-UHFFFAOYSA-N
MW170.37 g/mol
LogP2.17
Rot. Bonds2

About ethane-1,2-dithiol;propane-1-thiol

ethane-1,2-dithiol;propane-1-thiol (PubChem CID 161052956) has the molecular formula C5H14S3 and a molecular weight of 170.37 g/mol. Its IUPAC name is ethane-1,2-dithiol;propane-1-thiol.

Molecular Properties

Compound Nameethane-1,2-dithiol;propane-1-thiol
PubChem CID161052956
Molecular FormulaC5H14S3
Molecular Weight170.37 g/mol
Exact Mass170.03
IUPAC Nameethane-1,2-dithiol;propane-1-thiol
SMILESCCCS.SCCS
InChIInChI=1S/C3H8S.C2H6S2/c1-2-3-4;3-1-2-4/h4H,2-3H2,1H3;3-4H,1-2H2
InChIKeyLPERBLZSVAVOHW-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.37
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-dithiol
CID 87812323
ethoxysilane;propane-1-thiol
CID 174804582
phosphoric acid;propane-1-thiol
CID 22065553
ethane-1,2-dithiol;ethanol;propane
CID 90729745
(1,2-13C2)ethanethiol
CID 169439901
sodium ethane-1,2-dithiol
CID 54604412
butane-1-thiol;silane
CID 157290532
butane-1-thiol;hydrofluoride
CID 161154336
2-chloroethanethiol;1-chloropropane
CID 142174874
dodecane-1-thiol
CID 8195
decane-1-thiol
CID 8917
octadecane-1-thiol;octane-1-thiol
CID 158706451

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-dithiol;propane-1-thiol?
The IUPAC name of ethane-1,2-dithiol;propane-1-thiol (CID 161052956) is ethane-1,2-dithiol;propane-1-thiol.
What is the SMILES notation for ethane-1,2-dithiol;propane-1-thiol?
The canonical SMILES for ethane-1,2-dithiol;propane-1-thiol is CCCS.SCCS.
What is the InChIKey of ethane-1,2-dithiol;propane-1-thiol?
The InChIKey is LPERBLZSVAVOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S.C2H6S2/c1-2-3-4;3-1-2-4/h4H,2-3H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-dithiol;propane-1-thiol?
ethane-1,2-dithiol;propane-1-thiol has a molecular weight of 170.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-dithiol;propane-1-thiol is sourced from PubChem (CID 161052956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).