1-tert-butylsulfanyl-2-ethenylbenzene

C12H16S — CID 58851200

IUPAC1-tert-butylsulfanyl-2-ethenylbenzene
SMILESC=Cc1ccccc1SC(C)(C)C
InChIInChI=1S/C12H16S/c1-5-10-8-6-7-9-11(10)13-12(2,3)4/h5-9H,1H2,2-4H3
InChIKeyXUSWQUAIYLNZAX-UHFFFAOYSA-N
MW192.33 g/mol
LogP4.22
Rot. Bonds2

About 1-tert-butylsulfanyl-2-ethenylbenzene

1-tert-butylsulfanyl-2-ethenylbenzene (PubChem CID 58851200) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-2-ethenylbenzene.

Molecular Properties

Compound Name1-tert-butylsulfanyl-2-ethenylbenzene
PubChem CID58851200
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name1-tert-butylsulfanyl-2-ethenylbenzene
SMILESC=Cc1ccccc1SC(C)(C)C
InChIInChI=1S/C12H16S/c1-5-10-8-6-7-9-11(10)13-12(2,3)4/h5-9H,1H2,2-4H3
InChIKeyXUSWQUAIYLNZAX-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene
CID 22186242
(E)-3-(2-tert-butylsulfanylphenyl)-2-methyl-1-phenylprop-2-en-1-ol
CID 10892349
1-ethenyl-2-prop-2-enylsulfanylbenzene
CID 69409682
1-(2-tert-butylsulfanylphenyl)-N-[3-[(2-tert-butylsulfanylphenyl)methylideneamino]-2,2-dimethylpropyl]methanimine
CID 67981669
(E)-3-(2-tert-butylsulfanylphenyl)-2-methylprop-2-enoic acid
CID 170872977
1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane
CID 162247147
CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021
(E)-3-(2-tert-butylsulfanylphenyl)-1-(2-chlorophenyl)prop-2-en-1-one
CID 134104600
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
(Z)-3-(2-tert-butylsulfanylphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 134101387

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-2-ethenylbenzene?
The IUPAC name of 1-tert-butylsulfanyl-2-ethenylbenzene (CID 58851200) is 1-tert-butylsulfanyl-2-ethenylbenzene.
What is the SMILES notation for 1-tert-butylsulfanyl-2-ethenylbenzene?
The canonical SMILES for 1-tert-butylsulfanyl-2-ethenylbenzene is C=Cc1ccccc1SC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-2-ethenylbenzene?
The InChIKey is XUSWQUAIYLNZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-5-10-8-6-7-9-11(10)13-12(2,3)4/h5-9H,1H2,2-4H3.
What are the key properties of 1-tert-butylsulfanyl-2-ethenylbenzene?
1-tert-butylsulfanyl-2-ethenylbenzene has a molecular weight of 192.33 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-2-ethenylbenzene is sourced from PubChem (CID 58851200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).