2-tert-butylsulfanyl-4-methylbenzenecarboximidamide

C12H18N2S — CID 62306992

IUPAC2-tert-butylsulfanyl-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1SC(C)(C)C
InChIInChI=1S/C12H18N2S/c1-8-5-6-9(11(13)14)10(7-8)15-12(2,3)4/h5-7H,1-4H3,(H3,13,14)
InChIKeyXJIJOSLGRMALML-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.17
Rot. Bonds2

About 2-tert-butylsulfanyl-4-methylbenzenecarboximidamide

2-tert-butylsulfanyl-4-methylbenzenecarboximidamide (PubChem CID 62306992) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-4-methylbenzenecarboximidamide
PubChem CID62306992
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-tert-butylsulfanyl-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1SC(C)(C)C
InChIInChI=1S/C12H18N2S/c1-8-5-6-9(11(13)14)10(7-8)15-12(2,3)4/h5-7H,1-4H3,(H3,13,14)
InChIKeyXJIJOSLGRMALML-UHFFFAOYSA-N
XLogP3.17
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.17
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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Related Compounds

2-benzylsulfanyl-4-methylbenzenecarboximidamide
CID 62307832
4-methyl-2-(3-methylbutylsulfanyl)benzenecarboximidamide
CID 107750181
4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
CID 62306812
2-tert-butylsulfanyl-5-chlorobenzenecarboximidamide
CID 62494946
2-(2-fluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306806
4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
CID 65043483
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
4-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 113298641
4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63093373
4-methyl-2-sulfanylbenzenecarboximidamide
CID 142196477
2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306987
4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 55179845

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-4-methylbenzenecarboximidamide?
The IUPAC name of 2-tert-butylsulfanyl-4-methylbenzenecarboximidamide (CID 62306992) is 2-tert-butylsulfanyl-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-tert-butylsulfanyl-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-tert-butylsulfanyl-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1SC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-4-methylbenzenecarboximidamide?
The InChIKey is XJIJOSLGRMALML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-8-5-6-9(11(13)14)10(7-8)15-12(2,3)4/h5-7H,1-4H3,(H3,13,14).
What are the key properties of 2-tert-butylsulfanyl-4-methylbenzenecarboximidamide?
2-tert-butylsulfanyl-4-methylbenzenecarboximidamide has a molecular weight of 222.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62306992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).