6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine

C9H13NS — CID 143005433

IUPAC6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine
SMILESC=CC1=C(/C=C\C)NCCS1
InChIInChI=1S/C9H13NS/c1-3-5-8-9(4-2)11-7-6-10-8/h3-5,10H,2,6-7H2,1H3/b5-3-
InChIKeyDNYZIGXORWQOMD-HYXAFXHYSA-N
MW167.28 g/mol
LogP2.30
Rot. Bonds2

About 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine

6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine (PubChem CID 143005433) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine
PubChem CID143005433
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine
SMILESC=CC1=C(/C=C\C)NCCS1
InChIInChI=1S/C9H13NS/c1-3-5-8-9(4-2)11-7-6-10-8/h3-5,10H,2,6-7H2,1H3/b5-3-
InChIKeyDNYZIGXORWQOMD-HYXAFXHYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Allylthiodihydropyridine
CID 129814609
2-Propylsulfanyl-1,2-dihydropyridine
CID 22928844
6-Methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium
CID 59893090
N-methyl-2H-thiopyran-4-amine
CID 70273602
(2E,4Z,6E)-N-methyl-7-propylsulfanylocta-2,4,6-trien-1-amine
CID 88269467
(2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 89088796
3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine
CID 89176393
4-Chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine
CID 89315037
(2Z,4Z)-N-[2-(disulfanyl)ethyl]hexa-2,4-dien-2-amine
CID 89328144
2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine
CID 118933271
5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 121275139
(2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine
CID 126584050

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine (CID 143005433) is 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine is C=CC1=C(/C=C\C)NCCS1.
What is the InChIKey of 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is DNYZIGXORWQOMD-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-5-8-9(4-2)11-7-6-10-8/h3-5,10H,2,6-7H2,1H3/b5-3-.
What are the key properties of 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine?
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 167.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 143005433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).