3-methylsulfanylpropanimidamide

C4H10N2S — CID 13210003

IUPAC3-methylsulfanylpropanimidamide
SMILES[H]/N=C(/N)CCSC
InChIInChI=1S/C4H10N2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H3,5,6)
InChIKeyOXGHHAMQUZOZJR-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.68
Rot. Bonds3

About 3-methylsulfanylpropanimidamide

3-methylsulfanylpropanimidamide (PubChem CID 13210003) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is 3-methylsulfanylpropanimidamide.

Molecular Properties

Compound Name3-methylsulfanylpropanimidamide
PubChem CID13210003
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name3-methylsulfanylpropanimidamide
SMILES[H]/N=C(/N)CCSC
InChIInChI=1S/C4H10N2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H3,5,6)
InChIKeyOXGHHAMQUZOZJR-UHFFFAOYSA-N
XLogP0.68
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylpropanimidamide?
The IUPAC name of 3-methylsulfanylpropanimidamide (CID 13210003) is 3-methylsulfanylpropanimidamide.
What is the SMILES notation for 3-methylsulfanylpropanimidamide?
The canonical SMILES for 3-methylsulfanylpropanimidamide is [H]/N=C(/N)CCSC.
What is the InChIKey of 3-methylsulfanylpropanimidamide?
The InChIKey is OXGHHAMQUZOZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H3,5,6).
What are the key properties of 3-methylsulfanylpropanimidamide?
3-methylsulfanylpropanimidamide has a molecular weight of 118.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylpropanimidamide is sourced from PubChem (CID 13210003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).