3-methylsulfanylazetidine;hydrochloride

C4H10ClNS — CID 57415899

IUPAC3-methylsulfanylazetidine;hydrochloride
SMILESCSC1CNC1.Cl
InChIInChI=1S/C4H9NS.ClH/c1-6-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H
InChIKeyPKQXOKYPKFJWAP-UHFFFAOYSA-N
MW139.65 g/mol
LogP0.74
Rot. Bonds1

About 3-methylsulfanylazetidine;hydrochloride

3-methylsulfanylazetidine;hydrochloride (PubChem CID 57415899) has the molecular formula C4H10ClNS and a molecular weight of 139.65 g/mol. Its IUPAC name is 3-methylsulfanylazetidine;hydrochloride.

Molecular Properties

Compound Name3-methylsulfanylazetidine;hydrochloride
PubChem CID57415899
Molecular FormulaC4H10ClNS
Molecular Weight139.65 g/mol
Exact Mass139.02
IUPAC Name3-methylsulfanylazetidine;hydrochloride
SMILESCSC1CNC1.Cl
InChIInChI=1S/C4H9NS.ClH/c1-6-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H
InChIKeyPKQXOKYPKFJWAP-UHFFFAOYSA-N
XLogP0.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.65
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl[2-(methylsulfanyl)ethyl]amine hydrochloride
CID 18670830
3-(Tert-butylsulfanyl)azetidine hydrochloride
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N-methylthietan-3-amine hydrochloride
CID 132351247
2-(Methylthio)azetidine
CID 20139925
3-(Methylsulfanyl)azetidine
CID 54026681
N-methylthietan-3-amine
CID 57612877
3-Fluoro-3-methylsulfanylazetidine
CID 170103554
3-Thiocyanoazetidine
CID 129844218
3-(Methylsulfanylmethyl)azetidine;hydrochloride
CID 24799126
3-(Methylsulfanylmethyl)azetidine
CID 24799127
3-(Ethylsulfanyl)azetidine
CID 53891342
3-Propan-2-ylsulfanylazetidine
CID 54470041

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylazetidine;hydrochloride?
The IUPAC name of 3-methylsulfanylazetidine;hydrochloride (CID 57415899) is 3-methylsulfanylazetidine;hydrochloride.
What is the SMILES notation for 3-methylsulfanylazetidine;hydrochloride?
The canonical SMILES for 3-methylsulfanylazetidine;hydrochloride is CSC1CNC1.Cl.
What is the InChIKey of 3-methylsulfanylazetidine;hydrochloride?
The InChIKey is PKQXOKYPKFJWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS.ClH/c1-6-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H.
What are the key properties of 3-methylsulfanylazetidine;hydrochloride?
3-methylsulfanylazetidine;hydrochloride has a molecular weight of 139.65 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylazetidine;hydrochloride is sourced from PubChem (CID 57415899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).