2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol

C8H21N3S — CID 123783351

IUPAC2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol
SMILESCCCNN(NCCS)C(C)C
InChIInChI=1S/C8H21N3S/c1-4-5-9-11(8(2)3)10-6-7-12/h8-10,12H,4-7H2,1-3H3
InChIKeyLWHJXBWBBZPCGG-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.05
Rot. Bonds7

About 2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol

2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol (PubChem CID 123783351) has the molecular formula C8H21N3S and a molecular weight of 191.34 g/mol. Its IUPAC name is 2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol.

Molecular Properties

Compound Name2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol
PubChem CID123783351
Molecular FormulaC8H21N3S
Molecular Weight191.34 g/mol
Exact Mass191.15
IUPAC Name2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol
SMILESCCCNN(NCCS)C(C)C
InChIInChI=1S/C8H21N3S/c1-4-5-9-11(8(2)3)10-6-7-12/h8-10,12H,4-7H2,1-3H3
InChIKeyLWHJXBWBBZPCGG-UHFFFAOYSA-N
XLogP1.05
TPSA27.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Hydrazinylpropane-1-thiol
CID 12731764
2-Ethyl-1-methylsulfanyl-1-propan-2-ylhydrazine
CID 19849536
(2R)-2-hydrazinylpropane-1-thiol
CID 89010992
(2-Propan-2-ylhydrazinyl)methanethiol
CID 121404674
3-(2-Methylhydrazinyl)butane-1-thiol
CID 123273187
N,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine
CID 141278447
2-[2-Ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane
CID 151034457
3-(2,2-Dimethylhydrazinyl)butane-2-thiol
CID 156120140
[Methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide
CID 163451346
N-methyl-N-[2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethylsulfanyl]propan-2-amine
CID 169624467

Frequently Asked Questions

What is the IUPAC name of 2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol?
The IUPAC name of 2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol (CID 123783351) is 2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol.
What is the SMILES notation for 2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol?
The canonical SMILES for 2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol is CCCNN(NCCS)C(C)C.
What is the InChIKey of 2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol?
The InChIKey is LWHJXBWBBZPCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3S/c1-4-5-9-11(8(2)3)10-6-7-12/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol?
2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol has a molecular weight of 191.34 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-propan-2-yl-2-(propylamino)hydrazinyl]ethanethiol is sourced from PubChem (CID 123783351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).