6-propan-2-yl-2H-1,3-thiazine

C7H11NS — CID 20700908

IUPAC6-propan-2-yl-2H-1,3-thiazine
SMILESCC(C)C1=CC=NCS1
InChIInChI=1S/C7H11NS/c1-6(2)7-3-4-8-5-9-7/h3-4,6H,5H2,1-2H3
InChIKeyCJROMQHIJPZSRW-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.30
Rot. Bonds1

About 6-propan-2-yl-2H-1,3-thiazine

6-propan-2-yl-2H-1,3-thiazine (PubChem CID 20700908) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 6-propan-2-yl-2H-1,3-thiazine.

Molecular Properties

Compound Name6-propan-2-yl-2H-1,3-thiazine
PubChem CID20700908
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name6-propan-2-yl-2H-1,3-thiazine
SMILESCC(C)C1=CC=NCS1
InChIInChI=1S/C7H11NS/c1-6(2)7-3-4-8-5-9-7/h3-4,6H,5H2,1-2H3
InChIKeyCJROMQHIJPZSRW-UHFFFAOYSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3a,4-Dihydrothieno[3,2-c]pyridine
CID 22446581
2-Methylsulfanyl-2,3-dihydropyridine
CID 53805724
4-Methylsulfanyl-2,5-dihydropyridine
CID 57165473
3a,7a-Dihydrothieno[2,3-b]pyridine
CID 58315327
3-Methyl-6-methylsulfanyl-2,3-dihydropyridine
CID 68102658
5-Methylsulfanyl-2,3-dihydropyridine
CID 68232477
5-(1-Methylsulfanylethyl)-2,3-dihydropyridine
CID 91177357
3-Methylsulfanyl-2,3-dihydropyridine
CID 123154233
Ethane;5-methylsulfanyl-2,3-dihydropyridine
CID 141864684
2-Ethylsulfanyl-2,3-dihydropyridine
CID 143495654
Ethane;2-ethenylsulfanyl-3-prop-2-enyl-2,3-dihydropyridine
CID 144172000
3-Methyl-2-methylsulfanyl-2,3-dihydropyridine
CID 153684672

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2H-1,3-thiazine?
The IUPAC name of 6-propan-2-yl-2H-1,3-thiazine (CID 20700908) is 6-propan-2-yl-2H-1,3-thiazine.
What is the SMILES notation for 6-propan-2-yl-2H-1,3-thiazine?
The canonical SMILES for 6-propan-2-yl-2H-1,3-thiazine is CC(C)C1=CC=NCS1.
What is the InChIKey of 6-propan-2-yl-2H-1,3-thiazine?
The InChIKey is CJROMQHIJPZSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6(2)7-3-4-8-5-9-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 6-propan-2-yl-2H-1,3-thiazine?
6-propan-2-yl-2H-1,3-thiazine has a molecular weight of 141.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2H-1,3-thiazine is sourced from PubChem (CID 20700908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).