1-[di(propan-2-yl)amino]ethanethiol

C8H19NS — CID 22242606

IUPAC1-[di(propan-2-yl)amino]ethanethiol
SMILESCC(C)N(C(C)C)C(C)S
InChIInChI=1S/C8H19NS/c1-6(2)9(7(3)4)8(5)10/h6-8,10H,1-5H3
InChIKeyGUCJMDSANSMBMM-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.38
Rot. Bonds3

About 1-[di(propan-2-yl)amino]ethanethiol

1-[di(propan-2-yl)amino]ethanethiol (PubChem CID 22242606) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]ethanethiol.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]ethanethiol
PubChem CID22242606
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name1-[di(propan-2-yl)amino]ethanethiol
SMILESCC(C)N(C(C)C)C(C)S
InChIInChI=1S/C8H19NS/c1-6(2)9(7(3)4)8(5)10/h6-8,10H,1-5H3
InChIKeyGUCJMDSANSMBMM-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yl)amino]ethanethiol?
The IUPAC name of 1-[di(propan-2-yl)amino]ethanethiol (CID 22242606) is 1-[di(propan-2-yl)amino]ethanethiol.
What is the SMILES notation for 1-[di(propan-2-yl)amino]ethanethiol?
The canonical SMILES for 1-[di(propan-2-yl)amino]ethanethiol is CC(C)N(C(C)C)C(C)S.
What is the InChIKey of 1-[di(propan-2-yl)amino]ethanethiol?
The InChIKey is GUCJMDSANSMBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-6(2)9(7(3)4)8(5)10/h6-8,10H,1-5H3.
What are the key properties of 1-[di(propan-2-yl)amino]ethanethiol?
1-[di(propan-2-yl)amino]ethanethiol has a molecular weight of 161.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yl)amino]ethanethiol is sourced from PubChem (CID 22242606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).