2-ethylsulfanyl-4-methoxybenzenecarboximidamide

C10H14N2OS — CID 81303342

IUPAC2-ethylsulfanyl-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1SCC
InChIInChI=1S/C10H14N2OS/c1-3-14-9-6-7(13-2)4-5-8(9)10(11)12/h4-6H,3H2,1-2H3,(H3,11,12)
InChIKeyWKLBNVITOFTPLG-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.09
Rot. Bonds4

About 2-ethylsulfanyl-4-methoxybenzenecarboximidamide

2-ethylsulfanyl-4-methoxybenzenecarboximidamide (PubChem CID 81303342) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-ethylsulfanyl-4-methoxybenzenecarboximidamide
PubChem CID81303342
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-ethylsulfanyl-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1SCC
InChIInChI=1S/C10H14N2OS/c1-3-14-9-6-7(13-2)4-5-8(9)10(11)12/h4-6H,3H2,1-2H3,(H3,11,12)
InChIKeyWKLBNVITOFTPLG-UHFFFAOYSA-N
XLogP2.09
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.09
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
4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 81302880
4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81302483
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide
CID 81302879
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922784
2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide
CID 81302486
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 114905157
2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303854

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-ethylsulfanyl-4-methoxybenzenecarboximidamide (CID 81303342) is 2-ethylsulfanyl-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-ethylsulfanyl-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-ethylsulfanyl-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1SCC.
What is the InChIKey of 2-ethylsulfanyl-4-methoxybenzenecarboximidamide?
The InChIKey is WKLBNVITOFTPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-3-14-9-6-7(13-2)4-5-8(9)10(11)12/h4-6H,3H2,1-2H3,(H3,11,12).
What are the key properties of 2-ethylsulfanyl-4-methoxybenzenecarboximidamide?
2-ethylsulfanyl-4-methoxybenzenecarboximidamide has a molecular weight of 210.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81303342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).