1-(propan-2-ylamino)ethanethiol;hydrochloride

C5H14ClNS — CID 141282911

IUPAC1-(propan-2-ylamino)ethanethiol;hydrochloride
SMILESCC(C)NC(C)S.Cl
InChIInChI=1S/C5H13NS.ClH/c1-4(2)6-5(3)7;/h4-7H,1-3H3;1H
InChIKeyVQJCSVBPVUMSMV-UHFFFAOYSA-N
MW155.69 g/mol
LogP1.68
Rot. Bonds2

About 1-(propan-2-ylamino)ethanethiol;hydrochloride

1-(propan-2-ylamino)ethanethiol;hydrochloride (PubChem CID 141282911) has the molecular formula C5H14ClNS and a molecular weight of 155.69 g/mol. Its IUPAC name is 1-(propan-2-ylamino)ethanethiol;hydrochloride.

Molecular Properties

Compound Name1-(propan-2-ylamino)ethanethiol;hydrochloride
PubChem CID141282911
Molecular FormulaC5H14ClNS
Molecular Weight155.69 g/mol
Exact Mass155.05
IUPAC Name1-(propan-2-ylamino)ethanethiol;hydrochloride
SMILESCC(C)NC(C)S.Cl
InChIInChI=1S/C5H13NS.ClH/c1-4(2)6-5(3)7;/h4-7H,1-3H3;1H
InChIKeyVQJCSVBPVUMSMV-UHFFFAOYSA-N
XLogP1.68
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.69
LogP ≤ 51.68
H-Bond Donors ≤ 52
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'}

Analyze 1-(propan-2-ylamino)ethanethiol;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

Ethanethiol, 2-propylamino-
CID 201387
Propanethiol, 2-((3-aminopropyl)amino)-, dihydrochloride
CID 90982
1-Propanethiol, 2-(butylamino)-
CID 3063451
Ethanethiol, 2-(ethylamino)-
CID 9964074
2-(Tert-butylamino)ethanethiol
CID 263088
(2R)-2-(methylamino)propane-1-thiol
CID 71627407
n-Propylaminoethanethiol
CID 23019004
1-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]ethanethiol
CID 146534906
2-(3-Aminopropylamino)propane-1-thiol
CID 90983
2-(Propan-2-ylamino)ethanethiol;hydrochloride
CID 73555511
2-(Ethylamino)-3,3,3-trifluoropropane-1-thiol
CID 130892591
Ethanethiol, 2-(propylamino)-, hydrochloride
CID 520651

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)ethanethiol;hydrochloride?
The IUPAC name of 1-(propan-2-ylamino)ethanethiol;hydrochloride (CID 141282911) is 1-(propan-2-ylamino)ethanethiol;hydrochloride.
What is the SMILES notation for 1-(propan-2-ylamino)ethanethiol;hydrochloride?
The canonical SMILES for 1-(propan-2-ylamino)ethanethiol;hydrochloride is CC(C)NC(C)S.Cl.
What is the InChIKey of 1-(propan-2-ylamino)ethanethiol;hydrochloride?
The InChIKey is VQJCSVBPVUMSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS.ClH/c1-4(2)6-5(3)7;/h4-7H,1-3H3;1H.
What are the key properties of 1-(propan-2-ylamino)ethanethiol;hydrochloride?
1-(propan-2-ylamino)ethanethiol;hydrochloride has a molecular weight of 155.69 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)ethanethiol;hydrochloride is sourced from PubChem (CID 141282911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).