(1-dodecylsulfanyl-2-phenylethenyl)benzene

C26H36S — CID 72811867

IUPAC(1-dodecylsulfanyl-2-phenylethenyl)benzene
SMILESCCCCCCCCCCCCSC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H36S/c1-2-3-4-5-6-7-8-9-10-17-22-27-26(25-20-15-12-16-21-25)23-24-18-13-11-14-19-24/h11-16,18-21,23H,2-10,17,22H2,1H3
InChIKeyDXWGMOKOVZKEAB-UHFFFAOYSA-N
MW380.64 g/mol
LogP8.84
Rot. Bonds14

About (1-dodecylsulfanyl-2-phenylethenyl)benzene

(1-dodecylsulfanyl-2-phenylethenyl)benzene (PubChem CID 72811867) has the molecular formula C26H36S and a molecular weight of 380.64 g/mol. Its IUPAC name is (1-dodecylsulfanyl-2-phenylethenyl)benzene.

Molecular Properties

Compound Name(1-dodecylsulfanyl-2-phenylethenyl)benzene
PubChem CID72811867
Molecular FormulaC26H36S
Molecular Weight380.64 g/mol
Exact Mass380.25
IUPAC Name(1-dodecylsulfanyl-2-phenylethenyl)benzene
SMILESCCCCCCCCCCCCSC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H36S/c1-2-3-4-5-6-7-8-9-10-17-22-27-26(25-20-15-12-16-21-25)23-24-18-13-11-14-19-24/h11-16,18-21,23H,2-10,17,22H2,1H3
InChIKeyDXWGMOKOVZKEAB-UHFFFAOYSA-N
XLogP8.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.64
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene
CID 135082590
S-decyl benzenecarbothioate
CID 11616108
1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene
CID 71562360
octyl 3,3-diphenylprop-2-enedithioate
CID 102189607
CID 177441824
CID 177441824
1,2-diphenylethenyl(hexyl)phosphane
CID 70146049
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
[(Z)-2-benzylsulfanyloct-1-enyl]benzene
CID 11358816
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
butyl benzenecarbodithioate
CID 578502
[(Z)-1-phenylsulfanylundec-1-enyl]benzene
CID 134932780
1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene
CID 67108847

Frequently Asked Questions

What is the IUPAC name of (1-dodecylsulfanyl-2-phenylethenyl)benzene?
The IUPAC name of (1-dodecylsulfanyl-2-phenylethenyl)benzene (CID 72811867) is (1-dodecylsulfanyl-2-phenylethenyl)benzene.
What is the SMILES notation for (1-dodecylsulfanyl-2-phenylethenyl)benzene?
The canonical SMILES for (1-dodecylsulfanyl-2-phenylethenyl)benzene is CCCCCCCCCCCCSC(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of (1-dodecylsulfanyl-2-phenylethenyl)benzene?
The InChIKey is DXWGMOKOVZKEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36S/c1-2-3-4-5-6-7-8-9-10-17-22-27-26(25-20-15-12-16-21-25)23-24-18-13-11-14-19-24/h11-16,18-21,23H,2-10,17,22H2,1H3.
What are the key properties of (1-dodecylsulfanyl-2-phenylethenyl)benzene?
(1-dodecylsulfanyl-2-phenylethenyl)benzene has a molecular weight of 380.64 g/mol, XLogP of 8.84, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dodecylsulfanyl-2-phenylethenyl)benzene is sourced from PubChem (CID 72811867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).