2-[di(propan-2-yl)amino]ethanedithioic acid

C8H17NS2 — CID 523462

IUPAC2-[di(propan-2-yl)amino]ethanedithioic acid
SMILESCC(C)N(CC(=S)S)C(C)C
InChIInChI=1S/C8H17NS2/c1-6(2)9(7(3)4)5-8(10)11/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyKNWVJEDFOYKMAB-UHFFFAOYSA-N
MW191.36 g/mol
LogP2.36
Rot. Bonds4

About 2-[di(propan-2-yl)amino]ethanedithioic acid

2-[di(propan-2-yl)amino]ethanedithioic acid (PubChem CID 523462) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]ethanedithioic acid.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]ethanedithioic acid
PubChem CID523462
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC Name2-[di(propan-2-yl)amino]ethanedithioic acid
SMILESCC(C)N(CC(=S)S)C(C)C
InChIInChI=1S/C8H17NS2/c1-6(2)9(7(3)4)5-8(10)11/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyKNWVJEDFOYKMAB-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 52.36
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-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine
CID 14644963
2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044960
2-[3-[di(propan-2-yl)amino]propyl-methylamino]ethanethioic S-acid
CID 87471392
(E)-2-[[di(propan-2-yl)amino]methyl]but-2-enenitrile
CID 10631235
N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol
CID 159144844
carbamodithioic acid;propan-2-ol
CID 71434937
CID 88709878
CID 88709878
N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
CID 71309796
2-[aminomethyl(propan-2-yl)amino]propan-1-ol
CID 177367266
lithium;dimethylamino 2-[di(propan-2-yl)amino]acetate;hydride
CID 174567234
2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron
CID 175105040
2-[di(propan-2-yl)amino]ethanol;methane
CID 145105271

Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]ethanedithioic acid?
The IUPAC name of 2-[di(propan-2-yl)amino]ethanedithioic acid (CID 523462) is 2-[di(propan-2-yl)amino]ethanedithioic acid.
What is the SMILES notation for 2-[di(propan-2-yl)amino]ethanedithioic acid?
The canonical SMILES for 2-[di(propan-2-yl)amino]ethanedithioic acid is CC(C)N(CC(=S)S)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)amino]ethanedithioic acid?
The InChIKey is KNWVJEDFOYKMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-6(2)9(7(3)4)5-8(10)11/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of 2-[di(propan-2-yl)amino]ethanedithioic acid?
2-[di(propan-2-yl)amino]ethanedithioic acid has a molecular weight of 191.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]ethanedithioic acid is sourced from PubChem (CID 523462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).