S-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine

C7H11NS — CID 166944546

IUPACS-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine
SMILESCC1C=CC(SN)=CC1
InChIInChI=1S/C7H11NS/c1-6-2-4-7(9-8)5-3-6/h2,4-6H,3,8H2,1H3
InChIKeyOIYBPZCQWSKFRL-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.07
Rot. Bonds1

About S-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine

S-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine (PubChem CID 166944546) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is S-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine
PubChem CID166944546
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC NameS-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine
SMILESCC1C=CC(SN)=CC1
InChIInChI=1S/C7H11NS/c1-6-2-4-7(9-8)5-3-6/h2,4-6H,3,8H2,1H3
InChIKeyOIYBPZCQWSKFRL-UHFFFAOYSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiohydroxylamine
CID 144797821
1-Methylcyclohexa-2,4-diene-1-thiol
CID 88950293
3-Methylcyclohexa-1,5-diene-1-thiol
CID 88964738
6-Methylcyclohexa-2,4-diene-1-thione
CID 88996164
4-Methylcyclohexa-1,5-diene-1-thiol
CID 89096764
(5R)-5-methylcyclohexa-1,3-diene-1-thiol
CID 89328664
S-[(2Z)-4-methylidenehexa-2,5-dien-2-yl]thiohydroxylamine
CID 89864246
S-(3-methylcyclohepta-1,5,6-trien-1-yl)thiohydroxylamine
CID 123413645
S-[(3Z,5Z)-2-methyl-4-propan-2-ylhepta-3,5-dien-3-yl]thiohydroxylamine
CID 126704569
S-cyclohexa-1,3-dien-1-ylthiohydroxylamine
CID 130184026
S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine
CID 139480669
5-Methylcyclohexa-1,3-diene-1-thiol
CID 141783432

Frequently Asked Questions

What is the IUPAC name of S-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine?
The IUPAC name of S-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine (CID 166944546) is S-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine.
What is the SMILES notation for S-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine?
The canonical SMILES for S-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine is CC1C=CC(SN)=CC1.
What is the InChIKey of S-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine?
The InChIKey is OIYBPZCQWSKFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6-2-4-7(9-8)5-3-6/h2,4-6H,3,8H2,1H3.
What are the key properties of S-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine?
S-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine has a molecular weight of 141.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-methylcyclohexa-1,5-dien-1-yl)thiohydroxylamine is sourced from PubChem (CID 166944546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).