2-methylpropan-2-amine;sulfurothioic O-acid

C4H13NO3S2 — CID 20510319

IUPAC2-methylpropan-2-amine;sulfurothioic O-acid
SMILESCC(C)(C)N.O=S(O)(O)=S
InChIInChI=1S/C4H11N.H2O3S2/c1-4(2,3)5;1-5(2,3)4/h5H2,1-3H3;(H2,1,2,3,4)
InChIKeyZADQTNBIRVHLGG-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.42
Rot. Bonds

About 2-methylpropan-2-amine;sulfurothioic O-acid

2-methylpropan-2-amine;sulfurothioic O-acid (PubChem CID 20510319) has the molecular formula C4H13NO3S2 and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-methylpropan-2-amine;sulfurothioic O-acid.

Molecular Properties

Compound Name2-methylpropan-2-amine;sulfurothioic O-acid
PubChem CID20510319
Molecular FormulaC4H13NO3S2
Molecular Weight187.29 g/mol
Exact Mass187.03
IUPAC Name2-methylpropan-2-amine;sulfurothioic O-acid
SMILESCC(C)(C)N.O=S(O)(O)=S
InChIInChI=1S/C4H11N.H2O3S2/c1-4(2,3)5;1-5(2,3)4/h5H2,1-3H3;(H2,1,2,3,4)
InChIKeyZADQTNBIRVHLGG-UHFFFAOYSA-N
XLogP0.42
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;sulfurothioic O-acid?
The IUPAC name of 2-methylpropan-2-amine;sulfurothioic O-acid (CID 20510319) is 2-methylpropan-2-amine;sulfurothioic O-acid.
What is the SMILES notation for 2-methylpropan-2-amine;sulfurothioic O-acid?
The canonical SMILES for 2-methylpropan-2-amine;sulfurothioic O-acid is CC(C)(C)N.O=S(O)(O)=S.
What is the InChIKey of 2-methylpropan-2-amine;sulfurothioic O-acid?
The InChIKey is ZADQTNBIRVHLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.H2O3S2/c1-4(2,3)5;1-5(2,3)4/h5H2,1-3H3;(H2,1,2,3,4).
What are the key properties of 2-methylpropan-2-amine;sulfurothioic O-acid?
2-methylpropan-2-amine;sulfurothioic O-acid has a molecular weight of 187.29 g/mol, XLogP of 0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;sulfurothioic O-acid is sourced from PubChem (CID 20510319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).