2-[di(propan-2-yl)amino]ethanethiolate

C8H18NS- — CID 134944833

IUPAC2-[di(propan-2-yl)amino]ethanethiolate
SMILESCC(C)N(CC[S-])C(C)C
InChIInChI=1S/C8H19NS/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3/p-1
InChIKeyIFZVKYXDCOHPOT-UHFFFAOYSA-M
MW160.31 g/mol
LogP1.65
Rot. Bonds4

About 2-[di(propan-2-yl)amino]ethanethiolate

2-[di(propan-2-yl)amino]ethanethiolate (PubChem CID 134944833) has the molecular formula C8H18NS- and a molecular weight of 160.31 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]ethanethiolate.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]ethanethiolate
PubChem CID134944833
Molecular FormulaC8H18NS-
Molecular Weight160.31 g/mol
Exact Mass160.12
IUPAC Name2-[di(propan-2-yl)amino]ethanethiolate
SMILESCC(C)N(CC[S-])C(C)C
InChIInChI=1S/C8H19NS/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3/p-1
InChIKeyIFZVKYXDCOHPOT-UHFFFAOYSA-M
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 2-[di(propan-2-yl)amino]ethanethiolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]ethanethiolate?
The IUPAC name of 2-[di(propan-2-yl)amino]ethanethiolate (CID 134944833) is 2-[di(propan-2-yl)amino]ethanethiolate.
What is the SMILES notation for 2-[di(propan-2-yl)amino]ethanethiolate?
The canonical SMILES for 2-[di(propan-2-yl)amino]ethanethiolate is CC(C)N(CC[S-])C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)amino]ethanethiolate?
The InChIKey is IFZVKYXDCOHPOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19NS/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3/p-1.
What are the key properties of 2-[di(propan-2-yl)amino]ethanethiolate?
2-[di(propan-2-yl)amino]ethanethiolate has a molecular weight of 160.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]ethanethiolate is sourced from PubChem (CID 134944833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).