4-methylsulfanylbenzenecarboximidamide

C8H10N2S — CID 4571097

IUPAC4-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(SC)cc1
InChIInChI=1S/C8H10N2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
InChIKeyAKPJVNWTNVZVDP-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.69
Rot. Bonds2

About 4-methylsulfanylbenzenecarboximidamide

4-methylsulfanylbenzenecarboximidamide (PubChem CID 4571097) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 4-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name4-methylsulfanylbenzenecarboximidamide
PubChem CID4571097
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name4-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(SC)cc1
InChIInChI=1S/C8H10N2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
InChIKeyAKPJVNWTNVZVDP-UHFFFAOYSA-N
XLogP1.69
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.69
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 4-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 4-methylsulfanylbenzenecarboximidamide (CID 4571097) is 4-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 4-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 4-methylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(SC)cc1.
What is the InChIKey of 4-methylsulfanylbenzenecarboximidamide?
The InChIKey is AKPJVNWTNVZVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10).
What are the key properties of 4-methylsulfanylbenzenecarboximidamide?
4-methylsulfanylbenzenecarboximidamide has a molecular weight of 166.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 4571097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).