(2-methyl-3-methylsulfanylprop-1-enyl)azanium

C5H12NS+ — CID 142046547

IUPAC(2-methyl-3-methylsulfanylprop-1-enyl)azanium
SMILESCSCC(C)=C[NH3+]
InChIInChI=1S/C5H11NS/c1-5(3-6)4-7-2/h3H,4,6H2,1-2H3/p+1
InChIKeyKWWWXDKYMSIHOP-UHFFFAOYSA-O
MW118.22 g/mol
LogP0.50
Rot. Bonds2

About (2-methyl-3-methylsulfanylprop-1-enyl)azanium

(2-methyl-3-methylsulfanylprop-1-enyl)azanium (PubChem CID 142046547) has the molecular formula C5H12NS+ and a molecular weight of 118.22 g/mol. Its IUPAC name is (2-methyl-3-methylsulfanylprop-1-enyl)azanium.

Molecular Properties

Compound Name(2-methyl-3-methylsulfanylprop-1-enyl)azanium
PubChem CID142046547
Molecular FormulaC5H12NS+
Molecular Weight118.22 g/mol
Exact Mass118.07
IUPAC Name(2-methyl-3-methylsulfanylprop-1-enyl)azanium
SMILESCSCC(C)=C[NH3+]
InChIInChI=1S/C5H11NS/c1-5(3-6)4-7-2/h3H,4,6H2,1-2H3/p+1
InChIKeyKWWWXDKYMSIHOP-UHFFFAOYSA-O
XLogP0.50
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-methylsulfanylprop-1-enyl)azanium?
The IUPAC name of (2-methyl-3-methylsulfanylprop-1-enyl)azanium (CID 142046547) is (2-methyl-3-methylsulfanylprop-1-enyl)azanium.
What is the SMILES notation for (2-methyl-3-methylsulfanylprop-1-enyl)azanium?
The canonical SMILES for (2-methyl-3-methylsulfanylprop-1-enyl)azanium is CSCC(C)=C[NH3+].
What is the InChIKey of (2-methyl-3-methylsulfanylprop-1-enyl)azanium?
The InChIKey is KWWWXDKYMSIHOP-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NS/c1-5(3-6)4-7-2/h3H,4,6H2,1-2H3/p+1.
What are the key properties of (2-methyl-3-methylsulfanylprop-1-enyl)azanium?
(2-methyl-3-methylsulfanylprop-1-enyl)azanium has a molecular weight of 118.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-methylsulfanylprop-1-enyl)azanium is sourced from PubChem (CID 142046547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).