1-thia-4-azacyclonona-2,3-diene

C7H11NS — CID 155036358

IUPAC1-thia-4-azacyclonona-2,3-diene
SMILESC1=CSCCCCCN=1
InChIInChI=1S/C7H11NS/c1-2-4-8-5-7-9-6-3-1/h7H,1-4,6H2
InChIKeyZLUVFVDTDRUFQO-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.09
Rot. Bonds

About 1-thia-4-azacyclonona-2,3-diene

1-thia-4-azacyclonona-2,3-diene (PubChem CID 155036358) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 1-thia-4-azacyclonona-2,3-diene.

Molecular Properties

Compound Name1-thia-4-azacyclonona-2,3-diene
PubChem CID155036358
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name1-thia-4-azacyclonona-2,3-diene
SMILESC1=CSCCCCCN=1
InChIInChI=1S/C7H11NS/c1-2-4-8-5-7-9-6-3-1/h7H,1-4,6H2
InChIKeyZLUVFVDTDRUFQO-UHFFFAOYSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-oxa-8,10-diazacyclooctadeca-8,9-diene
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thiane
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thiacyclotridecane
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cyclohexane;1H-diazirine
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thiacyclononacosane
CID 68502335
azane;thiane
CID 175911384
CID 175695265
CID 175695265
thiane;thietane;thiirane;thiolane
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2,3,4,5,6,7,8,9-octahydroazecine
CID 57054376
1-azacycloheptadec-17-ene
CID 91001176
1,2-dithia-3,4-diazacycloundeca-3,10-diene
CID 91174110

Frequently Asked Questions

What is the IUPAC name of 1-thia-4-azacyclonona-2,3-diene?
The IUPAC name of 1-thia-4-azacyclonona-2,3-diene (CID 155036358) is 1-thia-4-azacyclonona-2,3-diene.
What is the SMILES notation for 1-thia-4-azacyclonona-2,3-diene?
The canonical SMILES for 1-thia-4-azacyclonona-2,3-diene is C1=CSCCCCCN=1.
What is the InChIKey of 1-thia-4-azacyclonona-2,3-diene?
The InChIKey is ZLUVFVDTDRUFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-4-8-5-7-9-6-3-1/h7H,1-4,6H2.
What are the key properties of 1-thia-4-azacyclonona-2,3-diene?
1-thia-4-azacyclonona-2,3-diene has a molecular weight of 141.24 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-4-azacyclonona-2,3-diene is sourced from PubChem (CID 155036358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).