1-(methylamino)propane-1-thiol;hydrochloride

C4H12ClNS — CID 174383519

IUPAC1-(methylamino)propane-1-thiol;hydrochloride
SMILESCCC(S)NC.Cl
InChIInChI=1S/C4H11NS.ClH/c1-3-4(6)5-2;/h4-6H,3H2,1-2H3;1H
InChIKeyBTBNOCQPKKLDMB-UHFFFAOYSA-N
MW141.67 g/mol
LogP1.29
Rot. Bonds2

About 1-(methylamino)propane-1-thiol;hydrochloride

1-(methylamino)propane-1-thiol;hydrochloride (PubChem CID 174383519) has the molecular formula C4H12ClNS and a molecular weight of 141.67 g/mol. Its IUPAC name is 1-(methylamino)propane-1-thiol;hydrochloride.

Molecular Properties

Compound Name1-(methylamino)propane-1-thiol;hydrochloride
PubChem CID174383519
Molecular FormulaC4H12ClNS
Molecular Weight141.67 g/mol
Exact Mass141.04
IUPAC Name1-(methylamino)propane-1-thiol;hydrochloride
SMILESCCC(S)NC.Cl
InChIInChI=1S/C4H11NS.ClH/c1-3-4(6)5-2;/h4-6H,3H2,1-2H3;1H
InChIKeyBTBNOCQPKKLDMB-UHFFFAOYSA-N
XLogP1.29
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.67
LogP ≤ 51.29
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'}

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Related Compounds

4-ethyl-N-methylhexan-3-amine
CID 79307570
1-[1-(methylamino)ethoxy]propane-1-thiol
CID 173191901
1-(1-sulfanylpropylsulfanyl)propane-1-thiol
CID 18185507
Silabutane-2-thiol
CID 21425877
N-(1-sulfanylpropyl)butanamide
CID 154492775
2-(methylamino)butane-1,1,1-triol;hydrochloride
CID 175087154
(2S)-3-(ethylamino)-2-(methylamino)propane-1-thiol
CID 89203328
N-methylpentan-2-amine;hydrochloride
CID 42919600
butane;N-methylmethanamine;hydrochloride
CID 174856882
butane;ethane;N-methylbutan-2-amine
CID 145323571
(2R)-2-N-methylbutane-1,2-diamine
CID 94343241
N,4-dimethylhexan-3-amine
CID 63559808

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)propane-1-thiol;hydrochloride?
The IUPAC name of 1-(methylamino)propane-1-thiol;hydrochloride (CID 174383519) is 1-(methylamino)propane-1-thiol;hydrochloride.
What is the SMILES notation for 1-(methylamino)propane-1-thiol;hydrochloride?
The canonical SMILES for 1-(methylamino)propane-1-thiol;hydrochloride is CCC(S)NC.Cl.
What is the InChIKey of 1-(methylamino)propane-1-thiol;hydrochloride?
The InChIKey is BTBNOCQPKKLDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS.ClH/c1-3-4(6)5-2;/h4-6H,3H2,1-2H3;1H.
What are the key properties of 1-(methylamino)propane-1-thiol;hydrochloride?
1-(methylamino)propane-1-thiol;hydrochloride has a molecular weight of 141.67 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)propane-1-thiol;hydrochloride is sourced from PubChem (CID 174383519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).