2-methylpropylsulfanylmethanedithioic acid

C5H10S3 — CID 15919791

IUPAC2-methylpropylsulfanylmethanedithioic acid
SMILESCC(C)CSC(=S)S
InChIInChI=1S/C5H10S3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyMFZKMGPEWYJSIH-UHFFFAOYSA-N
MW166.34 g/mol
LogP2.59
Rot. Bonds2

About 2-methylpropylsulfanylmethanedithioic acid

2-methylpropylsulfanylmethanedithioic acid (PubChem CID 15919791) has the molecular formula C5H10S3 and a molecular weight of 166.34 g/mol. Its IUPAC name is 2-methylpropylsulfanylmethanedithioic acid.

Molecular Properties

Compound Name2-methylpropylsulfanylmethanedithioic acid
PubChem CID15919791
Molecular FormulaC5H10S3
Molecular Weight166.34 g/mol
Exact Mass165.99
IUPAC Name2-methylpropylsulfanylmethanedithioic acid
SMILESCC(C)CSC(=S)S
InChIInChI=1S/C5H10S3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyMFZKMGPEWYJSIH-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-methylpropyl N,N-dimethylcarbamodithioate
CID 524154
2-methylpropyl N-aminocarbamodithioate
CID 55280604
2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc
CID 137373020
2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum
CID 174981832
propan-2-ylsulfanylmethanedithioic acid
CID 175983905
potassium 2-methylpropylsulfanylmethanethioate
CID 23716794
methyl 2-methylpropylsulfanylformate
CID 178163148
2-methylpropyl N'-methylcarbamimidothioate
CID 126994362
2-methylpropyl N'-propan-2-ylcarbamimidothioate;hydrochloride
CID 131224139
2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide
CID 101393638
carbamodithioic acid;propan-2-ol
CID 71434937
cobalt;2-methylpropoxymethanedithioic acid
CID 175412800

Frequently Asked Questions

What is the IUPAC name of 2-methylpropylsulfanylmethanedithioic acid?
The IUPAC name of 2-methylpropylsulfanylmethanedithioic acid (CID 15919791) is 2-methylpropylsulfanylmethanedithioic acid.
What is the SMILES notation for 2-methylpropylsulfanylmethanedithioic acid?
The canonical SMILES for 2-methylpropylsulfanylmethanedithioic acid is CC(C)CSC(=S)S.
What is the InChIKey of 2-methylpropylsulfanylmethanedithioic acid?
The InChIKey is MFZKMGPEWYJSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3,(H,6,7).
What are the key properties of 2-methylpropylsulfanylmethanedithioic acid?
2-methylpropylsulfanylmethanedithioic acid has a molecular weight of 166.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylsulfanylmethanedithioic acid is sourced from PubChem (CID 15919791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).