propanethioyl propanedithioate

C6H10S3 — CID 12761861

IUPACpropanethioyl propanedithioate
SMILESCCC(=S)SC(=S)CC
InChIInChI=1S/C6H10S3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3
InChIKeyHJXKRKVEJGDESI-UHFFFAOYSA-N
MW178.35 g/mol
LogP3.19
Rot. Bonds2

About propanethioyl propanedithioate

propanethioyl propanedithioate (PubChem CID 12761861) has the molecular formula C6H10S3 and a molecular weight of 178.35 g/mol. Its IUPAC name is propanethioyl propanedithioate.

Molecular Properties

Compound Namepropanethioyl propanedithioate
PubChem CID12761861
Molecular FormulaC6H10S3
Molecular Weight178.35 g/mol
Exact Mass177.99
IUPAC Namepropanethioyl propanedithioate
SMILESCCC(=S)SC(=S)CC
InChIInChI=1S/C6H10S3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3
InChIKeyHJXKRKVEJGDESI-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(butan-2-ylideneamino)carbamodithioate
CID 3501146
ethyl 3-aminopropanedithioate
CID 11108169
ethyl N-ethylcarbamodithioate;indigane
CID 175125102
methylsulfanyl N-ethylcarbamodithioate
CID 19838567
CID 88709878
CID 88709878
propyl N-chlorocarbamodithioate
CID 174631169
methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 2754715
(1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) propanedithioate
CID 54102666
2-methylpropyl N-aminocarbamodithioate
CID 55280604
(hydrazinylsulfanylcarbothioylamino) propanoate
CID 175120973
CID 59088415
CID 59088415
3-sulfanylidenepentanoic acid
CID 56610354

Frequently Asked Questions

What is the IUPAC name of propanethioyl propanedithioate?
The IUPAC name of propanethioyl propanedithioate (CID 12761861) is propanethioyl propanedithioate.
What is the SMILES notation for propanethioyl propanedithioate?
The canonical SMILES for propanethioyl propanedithioate is CCC(=S)SC(=S)CC.
What is the InChIKey of propanethioyl propanedithioate?
The InChIKey is HJXKRKVEJGDESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3.
What are the key properties of propanethioyl propanedithioate?
propanethioyl propanedithioate has a molecular weight of 178.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanethioyl propanedithioate is sourced from PubChem (CID 12761861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).