2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine

C9H13N5S — CID 23274102

IUPAC2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine
SMILESCSc1ccc(/C=N\N/C(N)=N\N)cc1
InChIInChI=1S/C9H13N5S/c1-15-8-4-2-7(3-5-8)6-12-14-9(10)13-11/h2-6H,11H2,1H3,(H3,10,13,14)/b12-6-
InChIKeyDWEZWTCIWCUKLO-SDQBBNPISA-N
MW223.31 g/mol
LogP0.52
Rot. Bonds3

About 2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine

2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine (PubChem CID 23274102) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine
PubChem CID23274102
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine
SMILESCSc1ccc(/C=N\N/C(N)=N\N)cc1
InChIInChI=1S/C9H13N5S/c1-15-8-4-2-7(3-5-8)6-12-14-9(10)13-11/h2-6H,11H2,1H3,(H3,10,13,14)/b12-6-
InChIKeyDWEZWTCIWCUKLO-SDQBBNPISA-N
XLogP0.52
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-1-[(4-methylsulfanylphenyl)methylideneamino]guanidine
CID 74041348
N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide
CID 4990030
4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 913551
2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride
CID 162326957
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404625
3,4-dimethyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 841000
5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 171133970
4-methoxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5338338
3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 841409
3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5417741
2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide
CID 5412695

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine (CID 23274102) is 2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine is CSc1ccc(/C=N\N/C(N)=N\N)cc1.
What is the InChIKey of 2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine?
The InChIKey is DWEZWTCIWCUKLO-SDQBBNPISA-N. The full InChI is InChI=1S/C9H13N5S/c1-15-8-4-2-7(3-5-8)6-12-14-9(10)13-11/h2-6H,11H2,1H3,(H3,10,13,14)/b12-6-.
What are the key properties of 2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine?
2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine has a molecular weight of 223.31 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 23274102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).