S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine

C7H10N2S — CID 142187545

IUPACS-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine
SMILESCC1=CC=C/C(=N/SN)C1
InChIInChI=1S/C7H10N2S/c1-6-3-2-4-7(5-6)9-10-8/h2-4H,5,8H2,1H3/b9-7-
InChIKeyBUMKBGHGOLCDEU-CLFYSBASSA-N
MW154.24 g/mol
LogP1.86
Rot. Bonds1

About S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine

S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine (PubChem CID 142187545) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine.

Molecular Properties

Compound NameS-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine
PubChem CID142187545
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC NameS-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine
SMILESCC1=CC=C/C(=N/SN)C1
InChIInChI=1S/C7H10N2S/c1-6-3-2-4-7(5-6)9-10-8/h2-4H,5,8H2,1H3/b9-7-
InChIKeyBUMKBGHGOLCDEU-CLFYSBASSA-N
XLogP1.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

p-Diazotoluol
CID 21752679
Toluquinone diimine
CID 57641797
1-Cyclopenta-1,3-dien-1-ylethanimine
CID 12554024
5-Methylcyclohexa-2,4-dien-1-imine
CID 14398591
4-Methylcyclohexa-2,4-dien-1-imine
CID 14398593
2,4-Dimethylcyclohexa-2,4-dien-1-imine
CID 17812233
1-Cyclohexa-1,5-dien-1-ylethanimine
CID 20750402
2-Methylcyclohexa-2,5-diene-1,4-diimine
CID 21499767
6-Ethylidenecyclohexa-2,4-dien-1-imine
CID 67490002
4-Ethylcyclohexa-3,5-diene-1,2-diimine
CID 68028388
4-Methylidenecyclohex-2-en-1-imine
CID 68245603
3-Methylcyclohexa-2,4-dien-1-imine
CID 68343210

Frequently Asked Questions

What is the IUPAC name of S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine?
The IUPAC name of S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine (CID 142187545) is S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine.
What is the SMILES notation for S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine?
The canonical SMILES for S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine is CC1=CC=C/C(=N/SN)C1.
What is the InChIKey of S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine?
The InChIKey is BUMKBGHGOLCDEU-CLFYSBASSA-N. The full InChI is InChI=1S/C7H10N2S/c1-6-3-2-4-7(5-6)9-10-8/h2-4H,5,8H2,1H3/b9-7-.
What are the key properties of S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine?
S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine has a molecular weight of 154.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine is sourced from PubChem (CID 142187545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).