2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine

C11H14N4S — CID 54540601

IUPAC2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine
SMILESC=CCSc1ccccc1C=NN=C(N)N
InChIInChI=1S/C11H14N4S/c1-2-7-16-10-6-4-3-5-9(10)8-14-15-11(12)13/h2-6,8H,1,7H2,(H4,12,13,15)
InChIKeyZCXMFOXZQICPOM-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.57
Rot. Bonds5

About 2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine

2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine (PubChem CID 54540601) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine
PubChem CID54540601
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine
SMILESC=CCSc1ccccc1C=NN=C(N)N
InChIInChI=1S/C11H14N4S/c1-2-7-16-10-6-4-3-5-9(10)8-14-15-11(12)13/h2-6,8H,1,7H2,(H4,12,13,15)
InChIKeyZCXMFOXZQICPOM-UHFFFAOYSA-N
XLogP1.57
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.57
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-2-prop-2-enylsulfanylbenzene
CID 69409682
prop-2-enyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate
CID 5022451
2-[(E)-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]guanidine
CID 44572744
2-[[2-[(dipropylamino)methyl]phenyl]methylideneamino]guanidine
CID 168590766
2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine
CID 168591467
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168591849
2,3-bis(prop-2-enylsulfanyl)phenol
CID 70364584
2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine
CID 68790902
2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine
CID 168593020
2-[(E)-phenanthren-9-ylmethylideneamino]guanidine
CID 45481167
2-ethyl-6-prop-2-enylsulfanylaniline
CID 139758072

Frequently Asked Questions

What is the IUPAC name of 2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine (CID 54540601) is 2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine is C=CCSc1ccccc1C=NN=C(N)N.
What is the InChIKey of 2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine?
The InChIKey is ZCXMFOXZQICPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-7-16-10-6-4-3-5-9(10)8-14-15-11(12)13/h2-6,8H,1,7H2,(H4,12,13,15).
What are the key properties of 2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine?
2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine has a molecular weight of 234.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-prop-2-enylsulfanylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 54540601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).