1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene

C16H16S3 — CID 130468853

IUPAC1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene
SMILESC=CSC1=CC=C(Sc2ccc(SC=C)cc2)CC1
InChIInChI=1S/C16H16S3/c1-3-17-13-5-9-15(10-6-13)19-16-11-7-14(8-12-16)18-4-2/h3-7,9-11H,1-2,8,12H2
InChIKeyOGEZHZOJHYXBKB-UHFFFAOYSA-N
MW304.51 g/mol
LogP6.45
Rot. Bonds6

About 1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene

1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene (PubChem CID 130468853) has the molecular formula C16H16S3 and a molecular weight of 304.51 g/mol. Its IUPAC name is 1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene.

Molecular Properties

Compound Name1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene
PubChem CID130468853
Molecular FormulaC16H16S3
Molecular Weight304.51 g/mol
Exact Mass304.04
IUPAC Name1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene
SMILESC=CSC1=CC=C(Sc2ccc(SC=C)cc2)CC1
InChIInChI=1S/C16H16S3/c1-3-17-13-5-9-15(10-6-13)19-16-11-7-14(8-12-16)18-4-2/h3-7,9-11H,1-2,8,12H2
InChIKeyOGEZHZOJHYXBKB-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene
CID 163666912
1,3,6-tris(ethenylsulfanyl)naphthalene
CID 171774524
N-buta-1,3-dien-2-yl-4-[5-ethenyl-6-(4-phenylsulfanylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]aniline
CID 154987007
4-[(1E,3E)-cyclododeca-1,3-dien-1-yl]sulfanylphenol
CID 70410068
4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline
CID 139763508
4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one
CID 71545450
1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene
CID 18739276
1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene
CID 139961968
4-methyl-1-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene
CID 144640370
1,4-bis(methylsulfanyl)cyclohexa-1,3-diene
CID 89233458
6-(oxomethylidene)-3-phenylsulfanylcyclohex-2-en-1-one
CID 141015672
1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene
CID 139961966

Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene?
The IUPAC name of 1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene (CID 130468853) is 1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene.
What is the SMILES notation for 1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene?
The canonical SMILES for 1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene is C=CSC1=CC=C(Sc2ccc(SC=C)cc2)CC1.
What is the InChIKey of 1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene?
The InChIKey is OGEZHZOJHYXBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S3/c1-3-17-13-5-9-15(10-6-13)19-16-11-7-14(8-12-16)18-4-2/h3-7,9-11H,1-2,8,12H2.
What are the key properties of 1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene?
1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene has a molecular weight of 304.51 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene is sourced from PubChem (CID 130468853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).