3-(dimethylamino)propane-1-thiol;hydrochloride

C5H14ClNS — CID 12947129

IUPAC3-(dimethylamino)propane-1-thiol;hydrochloride
SMILESCN(C)CCCS.Cl
InChIInChI=1S/C5H13NS.ClH/c1-6(2)4-3-5-7;/h7H,3-5H2,1-2H3;1H
InChIKeyHCEREWKVPIQLGP-UHFFFAOYSA-N
MW155.69 g/mol
LogP1.29
Rot. Bonds3

About 3-(dimethylamino)propane-1-thiol;hydrochloride

3-(dimethylamino)propane-1-thiol;hydrochloride (PubChem CID 12947129) has the molecular formula C5H14ClNS and a molecular weight of 155.69 g/mol. Its IUPAC name is 3-(dimethylamino)propane-1-thiol;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propane-1-thiol;hydrochloride
PubChem CID12947129
Molecular FormulaC5H14ClNS
Molecular Weight155.69 g/mol
Exact Mass155.05
IUPAC Name3-(dimethylamino)propane-1-thiol;hydrochloride
SMILESCN(C)CCCS.Cl
InChIInChI=1S/C5H13NS.ClH/c1-6(2)4-3-5-7;/h7H,3-5H2,1-2H3;1H
InChIKeyHCEREWKVPIQLGP-UHFFFAOYSA-N
XLogP1.29
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.69
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propane-1-thiol;hydrochloride?
The IUPAC name of 3-(dimethylamino)propane-1-thiol;hydrochloride (CID 12947129) is 3-(dimethylamino)propane-1-thiol;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)propane-1-thiol;hydrochloride?
The canonical SMILES for 3-(dimethylamino)propane-1-thiol;hydrochloride is CN(C)CCCS.Cl.
What is the InChIKey of 3-(dimethylamino)propane-1-thiol;hydrochloride?
The InChIKey is HCEREWKVPIQLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS.ClH/c1-6(2)4-3-5-7;/h7H,3-5H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)propane-1-thiol;hydrochloride?
3-(dimethylamino)propane-1-thiol;hydrochloride has a molecular weight of 155.69 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propane-1-thiol;hydrochloride is sourced from PubChem (CID 12947129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).