1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine

C9H13N5S — CID 6342932

IUPAC1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine
SMILESCSc1cccc(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/C9H13N5S/c1-15-7-4-2-3-6(5-7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
InChIKeyFCGNLCQMAKNXIW-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.63
Rot. Bonds2

About 1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine

1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine (PubChem CID 6342932) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine
PubChem CID6342932
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine
SMILESCSc1cccc(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/C9H13N5S/c1-15-7-4-2-3-6(5-7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
InChIKeyFCGNLCQMAKNXIW-UHFFFAOYSA-N
XLogP0.63
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-(diaminomethylidene)-2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]guanidine
CID 168602189
1-(2-bromoethyl)-1-methyl-2-(3-methylsulfanylphenyl)guanidine
CID 174366309
1-(diaminomethylidene)-2-[3-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]guanidine
CID 168605337
2-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]acetic acid
CID 168601741
N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide
CID 20763498
1-(diaminomethylidene)-2-[3-(3,4-dimethoxybenzoyl)phenyl]guanidine
CID 168605457
methyl 4-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-fluorobenzoate
CID 168604281
2-[3-(cyanomethoxy)phenyl]-1-(diaminomethylidene)guanidine
CID 168604167
1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine
CID 168605479
N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide
CID 168602315
2-(4-bromo-3-methylphenyl)-1-(diaminomethylidene)guanidine;hydrochloride
CID 2730272
2-[3-[chloro(fluoro)methyl]sulfanylphenyl]-1-methyl-1-(3-methylsulfanylphenyl)guanidine
CID 141164778

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine (CID 6342932) is 1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine is CSc1cccc(/N=C(\N)N=C(N)N)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine?
The InChIKey is FCGNLCQMAKNXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-15-7-4-2-3-6(5-7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14).
What are the key properties of 1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine?
1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine has a molecular weight of 223.31 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine is sourced from PubChem (CID 6342932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).