1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene

C14H18N2OS2 — CID 73427307

IUPAC1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene
SMILESCCC(/N=N/c1cccc(OC)c1)=C1SCCCS1
InChIInChI=1S/C14H18N2OS2/c1-3-13(14-18-8-5-9-19-14)16-15-11-6-4-7-12(10-11)17-2/h4,6-7,10H,3,5,8-9H2,1-2H3/b16-15+
InChIKeyQEVODTHYUWJJBL-FOCLMDBBSA-N
MW294.44 g/mol
LogP5.23
Rot. Bonds4

About 1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene

1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene (PubChem CID 73427307) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene.

Molecular Properties

Compound Name1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene
PubChem CID73427307
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC Name1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene
SMILESCCC(/N=N/c1cccc(OC)c1)=C1SCCCS1
InChIInChI=1S/C14H18N2OS2/c1-3-13(14-18-8-5-9-19-14)16-15-11-6-4-7-12(10-11)17-2/h4,6-7,10H,3,5,8-9H2,1-2H3/b16-15+
InChIKeyQEVODTHYUWJJBL-FOCLMDBBSA-N
XLogP5.23
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl (E)-3-hydroxy-2-[(3-methoxyphenyl)diazenyl]pent-2-enedioate
CID 137177101
(3-methoxyphenyl)-[(3-methoxyphenyl)methyl]diazene
CID 157276293
2-[(3-methoxyphenyl)diazenyl]-3-oxohexanoic acid
CID 123431931
(3-methoxyphenyl)-naphthalen-2-yldiazene
CID 581663
2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol
CID 136794349
(3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene
CID 72713700
sodium N-(3-methoxyphenyl)iminosulfamate
CID 23715155
2-ethyl-N-(3-methoxyphenyl)butan-1-imine
CID 134609514
CID 153354664
CID 153354664
9-[(3-methoxyphenyl)diazenyl]-2,3,4,7-tetrahydro-[1,4]dioxepino[2,3-f]indol-8-ol
CID 136666218
(3-methoxyphenoxy)methanol
CID 10442564
2-(1,3-dithian-2-ylidene)-2-(4-methoxyphenyl)acetonitrile
CID 132561882

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene?
The IUPAC name of 1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene (CID 73427307) is 1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene.
What is the SMILES notation for 1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene?
The canonical SMILES for 1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene is CCC(/N=N/c1cccc(OC)c1)=C1SCCCS1.
What is the InChIKey of 1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene?
The InChIKey is QEVODTHYUWJJBL-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-3-13(14-18-8-5-9-19-14)16-15-11-6-4-7-12(10-11)17-2/h4,6-7,10H,3,5,8-9H2,1-2H3/b16-15+.
What are the key properties of 1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene?
1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene has a molecular weight of 294.44 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithian-2-ylidene)propyl-(3-methoxyphenyl)diazene is sourced from PubChem (CID 73427307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).