6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane

C12H20S — CID 145445836

IUPAC6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane
SMILESC=CC1=C(C=C)SCCCC1.CC
InChIInChI=1S/C10H14S.C2H6/c1-3-9-7-5-6-8-11-10(9)4-2;1-2/h3-4H,1-2,5-8H2;1-2H3
InChIKeyJKVBEGRNGJGSGN-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.56
Rot. Bonds2

About 6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane

6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane (PubChem CID 145445836) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane.

Molecular Properties

Compound Name6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane
PubChem CID145445836
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane
SMILESC=CC1=C(C=C)SCCCC1.CC
InChIInChI=1S/C10H14S.C2H6/c1-3-9-7-5-6-8-11-10(9)4-2;1-2/h3-4H,1-2,5-8H2;1-2H3
InChIKeyJKVBEGRNGJGSGN-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol
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CID 163266347
1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one
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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane?
The IUPAC name of 6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane (CID 145445836) is 6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane.
What is the SMILES notation for 6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane?
The canonical SMILES for 6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane is C=CC1=C(C=C)SCCCC1.CC.
What is the InChIKey of 6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane?
The InChIKey is JKVBEGRNGJGSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S.C2H6/c1-3-9-7-5-6-8-11-10(9)4-2;1-2/h3-4H,1-2,5-8H2;1-2H3.
What are the key properties of 6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane?
6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane has a molecular weight of 196.36 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane is sourced from PubChem (CID 145445836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).