2-methylsulfanylethanethioamide;hydrochloride

C3H8ClNS2 — CID 19014064

IUPAC2-methylsulfanylethanethioamide;hydrochloride
SMILESCSCC(N)=S.Cl
InChIInChI=1S/C3H7NS2.ClH/c1-6-2-3(4)5;/h2H2,1H3,(H2,4,5);1H
InChIKeyHWPLLHREPDJBOQ-UHFFFAOYSA-N
MW157.69 g/mol
LogP1.06
Rot. Bonds2

About 2-methylsulfanylethanethioamide;hydrochloride

2-methylsulfanylethanethioamide;hydrochloride (PubChem CID 19014064) has the molecular formula C3H8ClNS2 and a molecular weight of 157.69 g/mol. Its IUPAC name is 2-methylsulfanylethanethioamide;hydrochloride.

Molecular Properties

Compound Name2-methylsulfanylethanethioamide;hydrochloride
PubChem CID19014064
Molecular FormulaC3H8ClNS2
Molecular Weight157.69 g/mol
Exact Mass156.98
IUPAC Name2-methylsulfanylethanethioamide;hydrochloride
SMILESCSCC(N)=S.Cl
InChIInChI=1S/C3H7NS2.ClH/c1-6-2-3(4)5;/h2H2,1H3,(H2,4,5);1H
InChIKeyHWPLLHREPDJBOQ-UHFFFAOYSA-N
XLogP1.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.69
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Methylthio)thioacetamide
CID 19014065
3-(Methylsulfanyl)propanethioamide
CID 22932675
2-Methylsulfanylethanethioamide;hydrobromide
CID 87846618
2-Methylsulfanylpropanethioamide
CID 139929935
(1E)-1-[ethyl(methyl)-lambda4-sulfanylidene]ethanamine
CID 163626887
2-(Ethylsulfanyl)ethanethioamide
CID 65130877
2-Propan-2-ylsulfanylethanethioamide
CID 65134598
2-(Ethylsulfanyl)propanethioamide
CID 71756826
(2S)-2-ethylsulfanylpropanethioamide
CID 96581855
(2R)-2-ethylsulfanylpropanethioamide
CID 96581856
2-Ethylsulfanylcarbothioylsulfanylethanethioamide
CID 130017795

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethanethioamide;hydrochloride?
The IUPAC name of 2-methylsulfanylethanethioamide;hydrochloride (CID 19014064) is 2-methylsulfanylethanethioamide;hydrochloride.
What is the SMILES notation for 2-methylsulfanylethanethioamide;hydrochloride?
The canonical SMILES for 2-methylsulfanylethanethioamide;hydrochloride is CSCC(N)=S.Cl.
What is the InChIKey of 2-methylsulfanylethanethioamide;hydrochloride?
The InChIKey is HWPLLHREPDJBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2.ClH/c1-6-2-3(4)5;/h2H2,1H3,(H2,4,5);1H.
What are the key properties of 2-methylsulfanylethanethioamide;hydrochloride?
2-methylsulfanylethanethioamide;hydrochloride has a molecular weight of 157.69 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethanethioamide;hydrochloride is sourced from PubChem (CID 19014064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).