2-methylsulfanylpropylazanide

C4H10NS- — CID 58013167

IUPAC2-methylsulfanylpropylazanide
SMILESCSC(C)C[NH-]
InChIInChI=1S/C4H10NS/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/q-1
InChIKeyPXKWWTSYODWPMM-UHFFFAOYSA-N
MW104.20 g/mol
LogP1.79
Rot. Bonds2

About 2-methylsulfanylpropylazanide

2-methylsulfanylpropylazanide (PubChem CID 58013167) has the molecular formula C4H10NS- and a molecular weight of 104.20 g/mol. Its IUPAC name is 2-methylsulfanylpropylazanide.

Molecular Properties

Compound Name2-methylsulfanylpropylazanide
PubChem CID58013167
Molecular FormulaC4H10NS-
Molecular Weight104.20 g/mol
Exact Mass104.05
IUPAC Name2-methylsulfanylpropylazanide
SMILESCSC(C)C[NH-]
InChIInChI=1S/C4H10NS/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/q-1
InChIKeyPXKWWTSYODWPMM-UHFFFAOYSA-N
XLogP1.79
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpropylazanide?
The IUPAC name of 2-methylsulfanylpropylazanide (CID 58013167) is 2-methylsulfanylpropylazanide.
What is the SMILES notation for 2-methylsulfanylpropylazanide?
The canonical SMILES for 2-methylsulfanylpropylazanide is CSC(C)C[NH-].
What is the InChIKey of 2-methylsulfanylpropylazanide?
The InChIKey is PXKWWTSYODWPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NS/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/q-1.
What are the key properties of 2-methylsulfanylpropylazanide?
2-methylsulfanylpropylazanide has a molecular weight of 104.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpropylazanide is sourced from PubChem (CID 58013167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).