2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine

C11H16N4O2S — CID 168592679

IUPAC2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine
SMILESCOc1cc(SC)c(OC)cc1C=NN=C(N)N
InChIInChI=1S/C11H16N4O2S/c1-16-8-5-10(18-3)9(17-2)4-7(8)6-14-15-11(12)13/h4-6H,1-3H3,(H4,12,13,15)
InChIKeyBVTUHRHOLPTMAA-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.03
Rot. Bonds5

About 2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine

2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine (PubChem CID 168592679) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine
PubChem CID168592679
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine
SMILESCOc1cc(SC)c(OC)cc1C=NN=C(N)N
InChIInChI=1S/C11H16N4O2S/c1-16-8-5-10(18-3)9(17-2)4-7(8)6-14-15-11(12)13/h4-6H,1-3H3,(H4,12,13,15)
InChIKeyBVTUHRHOLPTMAA-UHFFFAOYSA-N
XLogP1.03
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 168591331
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
CID 168590552
2-[(2-bromo-3,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 91364850
1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 5494118
4-methylbenzenesulfonic acid;2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 158713821
2-[(2,3,4-trifluoro-6-methoxyphenyl)methylideneamino]guanidine
CID 168591151
2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 168590530
2-[(E)-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]guanidine
CID 44572744
2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
CID 110538562
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine
CID 168592621

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine (CID 168592679) is 2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine is COc1cc(SC)c(OC)cc1C=NN=C(N)N.
What is the InChIKey of 2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine?
The InChIKey is BVTUHRHOLPTMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-16-8-5-10(18-3)9(17-2)4-7(8)6-14-15-11(12)13/h4-6H,1-3H3,(H4,12,13,15).
What are the key properties of 2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine?
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine has a molecular weight of 268.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168592679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).