4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide

C11H16N2OS — CID 81302880

IUPAC4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1SC(C)C
InChIInChI=1S/C11H16N2OS/c1-7(2)15-10-6-8(14-3)4-5-9(10)11(12)13/h4-7H,1-3H3,(H3,12,13)
InChIKeyKZMGCGFWCRCJCQ-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.48
Rot. Bonds4

About 4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide

4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide (PubChem CID 81302880) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
PubChem CID81302880
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1SC(C)C
InChIInChI=1S/C11H16N2OS/c1-7(2)15-10-6-8(14-3)4-5-9(10)11(12)13/h4-7H,1-3H3,(H3,12,13)
InChIKeyKZMGCGFWCRCJCQ-UHFFFAOYSA-N
XLogP2.48
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 81303543
2-ethylsulfanyl-4-methoxybenzenecarboximidamide
CID 81303342
4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81302483
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide
CID 81302879
4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922784
2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide
CID 81302486
4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 114905157
4-methoxy-2-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 81299483
2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306987
2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide
CID 115505583
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide?
The IUPAC name of 4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide (CID 81302880) is 4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1SC(C)C.
What is the InChIKey of 4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide?
The InChIKey is KZMGCGFWCRCJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7(2)15-10-6-8(14-3)4-5-9(10)11(12)13/h4-7H,1-3H3,(H3,12,13).
What are the key properties of 4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide?
4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide has a molecular weight of 224.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 81302880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).