3-(3-methylphenyl)sulfanylpropanimidamide

C10H14N2S — CID 61243250

IUPAC3-(3-methylphenyl)sulfanylpropanimidamide
SMILES[H]/N=C(\N)CCSc1cccc(C)c1
InChIInChI=1S/C10H14N2S/c1-8-3-2-4-9(7-8)13-6-5-10(11)12/h2-4,7H,5-6H2,1H3,(H3,11,12)
InChIKeyGPZYOLPLXYSYPQ-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.41
Rot. Bonds4

About 3-(3-methylphenyl)sulfanylpropanimidamide

3-(3-methylphenyl)sulfanylpropanimidamide (PubChem CID 61243250) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-(3-methylphenyl)sulfanylpropanimidamide.

Molecular Properties

Compound Name3-(3-methylphenyl)sulfanylpropanimidamide
PubChem CID61243250
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name3-(3-methylphenyl)sulfanylpropanimidamide
SMILES[H]/N=C(\N)CCSc1cccc(C)c1
InChIInChI=1S/C10H14N2S/c1-8-3-2-4-9(7-8)13-6-5-10(11)12/h2-4,7H,5-6H2,1H3,(H3,11,12)
InChIKeyGPZYOLPLXYSYPQ-UHFFFAOYSA-N
XLogP2.41
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.41
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-(3-methylphenyl)sulfanylpropanimidamide?
The IUPAC name of 3-(3-methylphenyl)sulfanylpropanimidamide (CID 61243250) is 3-(3-methylphenyl)sulfanylpropanimidamide.
What is the SMILES notation for 3-(3-methylphenyl)sulfanylpropanimidamide?
The canonical SMILES for 3-(3-methylphenyl)sulfanylpropanimidamide is [H]/N=C(\N)CCSc1cccc(C)c1.
What is the InChIKey of 3-(3-methylphenyl)sulfanylpropanimidamide?
The InChIKey is GPZYOLPLXYSYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-8-3-2-4-9(7-8)13-6-5-10(11)12/h2-4,7H,5-6H2,1H3,(H3,11,12).
What are the key properties of 3-(3-methylphenyl)sulfanylpropanimidamide?
3-(3-methylphenyl)sulfanylpropanimidamide has a molecular weight of 194.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)sulfanylpropanimidamide is sourced from PubChem (CID 61243250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).