hydrazinyl-(4-methylsulfanylphenyl)methanamine

C8H13N3S — CID 116947480

IUPAChydrazinyl-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)NN)cc1
InChIInChI=1S/C8H13N3S/c1-12-7-4-2-6(3-5-7)8(9)11-10/h2-5,8,11H,9-10H2,1H3
InChIKeyAIYOXANWTKKBOL-UHFFFAOYSA-N
MW183.28 g/mol
LogP0.83
Rot. Bonds3

About hydrazinyl-(4-methylsulfanylphenyl)methanamine

hydrazinyl-(4-methylsulfanylphenyl)methanamine (PubChem CID 116947480) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is hydrazinyl-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Namehydrazinyl-(4-methylsulfanylphenyl)methanamine
PubChem CID116947480
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Namehydrazinyl-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)NN)cc1
InChIInChI=1S/C8H13N3S/c1-12-7-4-2-6(3-5-7)8(9)11-10/h2-5,8,11H,9-10H2,1H3
InChIKeyAIYOXANWTKKBOL-UHFFFAOYSA-N
XLogP0.83
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-fluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105284116
(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride
CID 53484788
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198
[4-methyl-1-(4-methylsulfanylphenyl)pentyl]hydrazine
CID 105294254
2-amino-2-(4-methylsulfanylphenyl)acetaldehyde
CID 116939067
[(2,6-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105308115
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
(1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol
CID 55270641
[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]hydrazine
CID 105287585
2-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 54176621
4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
CID 116952045
3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
CID 116831551

Frequently Asked Questions

What is the IUPAC name of hydrazinyl-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of hydrazinyl-(4-methylsulfanylphenyl)methanamine (CID 116947480) is hydrazinyl-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for hydrazinyl-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for hydrazinyl-(4-methylsulfanylphenyl)methanamine is CSc1ccc(C(N)NN)cc1.
What is the InChIKey of hydrazinyl-(4-methylsulfanylphenyl)methanamine?
The InChIKey is AIYOXANWTKKBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-12-7-4-2-6(3-5-7)8(9)11-10/h2-5,8,11H,9-10H2,1H3.
What are the key properties of hydrazinyl-(4-methylsulfanylphenyl)methanamine?
hydrazinyl-(4-methylsulfanylphenyl)methanamine has a molecular weight of 183.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 116947480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).