2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine

C10H13NS — CID 134457648

IUPAC2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine
SMILESC/C=C\C1=C(/C=C\C)SC=CN1
InChIInChI=1S/C10H13NS/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3-8,11H,1-2H3/b5-3-,6-4-
InChIKeyICMBETQUQHQWNA-GLIMQPGKSA-N
MW179.29 g/mol
LogP3.16
Rot. Bonds2

About 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine

2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine (PubChem CID 134457648) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine.

Molecular Properties

Compound Name2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine
PubChem CID134457648
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine
SMILESC/C=C\C1=C(/C=C\C)SC=CN1
InChIInChI=1S/C10H13NS/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3-8,11H,1-2H3/b5-3-,6-4-
InChIKeyICMBETQUQHQWNA-GLIMQPGKSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Thiopyrano[3,2-b]pyridine
CID 129799004
(1Z,3E,5Z)-2-fluoro-N-methyl-1-(trimethyl-lambda4-sulfanyl)hepta-1,3,5-trien-4-amine
CID 169835064
(1Z,3E)-5-fluoro-N-methyl-1-(trimethyl-lambda4-sulfanyl)hexa-1,3,5-trien-3-amine
CID 169835115
2-Allylthiodihydropyridine
CID 129814609
4-Methylsulfanyl-1,2-dihydropyridine
CID 19962193
2-Propylsulfanyl-1,2-dihydropyridine
CID 22928844
2-Methylsulfanyl-1,2-dihydropyridine
CID 22928846
2,3-dimethyl-4H-1,4-thiazine
CID 23559727
6H-[1,4]dithiepino[6,5-b]pyridine
CID 54376309
6-Methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium
CID 59893090
N-methyl-2H-thiopyran-4-amine
CID 70273602
(1Z,3Z)-1-(3-aminoprop-1-en-2-ylsulfanyl)penta-1,3-dien-2-amine
CID 88889140

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The IUPAC name of 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine (CID 134457648) is 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine.
What is the SMILES notation for 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The canonical SMILES for 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine is C/C=C\C1=C(/C=C\C)SC=CN1.
What is the InChIKey of 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The InChIKey is ICMBETQUQHQWNA-GLIMQPGKSA-N. The full InChI is InChI=1S/C10H13NS/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3-8,11H,1-2H3/b5-3-,6-4-.
What are the key properties of 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine?
2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine has a molecular weight of 179.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine is sourced from PubChem (CID 134457648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).