propan-2-ylsulfanylmethanedithioic acid

C8H16S6 — CID 175983905

IUPACpropan-2-ylsulfanylmethanedithioic acid
SMILESCC(C)SC(=S)S.CC(C)SC(=S)S
InChIInChI=1S/2C4H8S3/c2*1-3(2)7-4(5)6/h2*3H,1-2H3,(H,5,6)
InChIKeyBQAIWKHCGQZGRX-UHFFFAOYSA-N
MW304.62 g/mol
LogP4.69
Rot. Bonds2

About propan-2-ylsulfanylmethanedithioic acid

propan-2-ylsulfanylmethanedithioic acid (PubChem CID 175983905) has the molecular formula C8H16S6 and a molecular weight of 304.62 g/mol. Its IUPAC name is propan-2-ylsulfanylmethanedithioic acid.

Molecular Properties

Compound Namepropan-2-ylsulfanylmethanedithioic acid
PubChem CID175983905
Molecular FormulaC8H16S6
Molecular Weight304.62 g/mol
Exact Mass303.96
IUPAC Namepropan-2-ylsulfanylmethanedithioic acid
SMILESCC(C)SC(=S)S.CC(C)SC(=S)S
InChIInChI=1S/2C4H8S3/c2*1-3(2)7-4(5)6/h2*3H,1-2H3,(H,5,6)
InChIKeyBQAIWKHCGQZGRX-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-hydroxyethanedithioate
CID 91188291
butan-2-ylsulfanylmethanedithioic acid;propanoic acid
CID 175132848
2-methylpropylsulfanylmethanedithioic acid
CID 15919791
carbamodithioic acid;propan-2-ol
CID 71434937
2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane
CID 88574591
O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate
CID 20610392
carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane
CID 174664994
bicyclo[3.1.1]hepta-1(6),2,4-triene;2-dithiocarboxysulfanylpropanoic acid
CID 175422335
(2S)-2-(propan-2-ylsulfanylcarbothioylamino)propanoic acid
CID 139195499
[amino(propan-2-ylsulfanyl)methylidene]azanium
CID 4218396
potassium tert-butylsulfanylmethanedithioic acid
CID 54601072
propan-2-yl 4-cyanobenzenecarbodithioate
CID 156556033

Frequently Asked Questions

What is the IUPAC name of propan-2-ylsulfanylmethanedithioic acid?
The IUPAC name of propan-2-ylsulfanylmethanedithioic acid (CID 175983905) is propan-2-ylsulfanylmethanedithioic acid.
What is the SMILES notation for propan-2-ylsulfanylmethanedithioic acid?
The canonical SMILES for propan-2-ylsulfanylmethanedithioic acid is CC(C)SC(=S)S.CC(C)SC(=S)S.
What is the InChIKey of propan-2-ylsulfanylmethanedithioic acid?
The InChIKey is BQAIWKHCGQZGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8S3/c2*1-3(2)7-4(5)6/h2*3H,1-2H3,(H,5,6).
What are the key properties of propan-2-ylsulfanylmethanedithioic acid?
propan-2-ylsulfanylmethanedithioic acid has a molecular weight of 304.62 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylsulfanylmethanedithioic acid is sourced from PubChem (CID 175983905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).