4-(2-methylphenyl)sulfanylbutanimidamide

C11H16N2S — CID 60892007

IUPAC4-(2-methylphenyl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSc1ccccc1C
InChIInChI=1S/C11H16N2S/c1-9-5-2-3-6-10(9)14-8-4-7-11(12)13/h2-3,5-6H,4,7-8H2,1H3,(H3,12,13)
InChIKeyIVGWMJNDKIYQQM-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.80
Rot. Bonds5

About 4-(2-methylphenyl)sulfanylbutanimidamide

4-(2-methylphenyl)sulfanylbutanimidamide (PubChem CID 60892007) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-(2-methylphenyl)sulfanylbutanimidamide.

Molecular Properties

Compound Name4-(2-methylphenyl)sulfanylbutanimidamide
PubChem CID60892007
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name4-(2-methylphenyl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSc1ccccc1C
InChIInChI=1S/C11H16N2S/c1-9-5-2-3-6-10(9)14-8-4-7-11(12)13/h2-3,5-6H,4,7-8H2,1H3,(H3,12,13)
InChIKeyIVGWMJNDKIYQQM-UHFFFAOYSA-N
XLogP2.80
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylfuran-3-yl)sulfanylpentanimidamide
CID 107780480
1-(3-bromopropylsulfanyl)-2-methylbenzene
CID 60891790
5-(2-methylphenyl)sulfanylpentan-2-amine
CID 64649281
4-[2-[2-(4-amino-4-iminobutyl)phenyl]sulfanylphenyl]butanimidamide
CID 25071816
4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide
CID 62410502
1-methyl-2-undecylsulfanylbenzene
CID 173415196
5-naphthalen-2-ylsulfanylpentanimidamide
CID 54965805
6-(2-methylphenyl)sulfanylhexan-3-amine
CID 106808325
4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide
CID 61385146
2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol
CID 64807687
1-methyl-2-(2-phenylethylsulfanyl)benzene
CID 59416597
3-(3-methylphenyl)sulfanylpropanimidamide
CID 61243250

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)sulfanylbutanimidamide?
The IUPAC name of 4-(2-methylphenyl)sulfanylbutanimidamide (CID 60892007) is 4-(2-methylphenyl)sulfanylbutanimidamide.
What is the SMILES notation for 4-(2-methylphenyl)sulfanylbutanimidamide?
The canonical SMILES for 4-(2-methylphenyl)sulfanylbutanimidamide is [H]/N=C(\N)CCCSc1ccccc1C.
What is the InChIKey of 4-(2-methylphenyl)sulfanylbutanimidamide?
The InChIKey is IVGWMJNDKIYQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9-5-2-3-6-10(9)14-8-4-7-11(12)13/h2-3,5-6H,4,7-8H2,1H3,(H3,12,13).
What are the key properties of 4-(2-methylphenyl)sulfanylbutanimidamide?
4-(2-methylphenyl)sulfanylbutanimidamide has a molecular weight of 208.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)sulfanylbutanimidamide is sourced from PubChem (CID 60892007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).