3,4-dihydro-2H-1,3-thiazine;hydrochloride

C4H8ClNS — CID 165123969

IUPAC3,4-dihydro-2H-1,3-thiazine;hydrochloride
SMILESC1=CSCNC1.Cl
InChIInChI=1S/C4H7NS.ClH/c1-2-5-4-6-3-1;/h1,3,5H,2,4H2;1H
InChIKeyCZMQSJQLJADMRV-UHFFFAOYSA-N
MW137.64 g/mol
LogP1.22
Rot. Bonds

About 3,4-dihydro-2H-1,3-thiazine;hydrochloride

3,4-dihydro-2H-1,3-thiazine;hydrochloride (PubChem CID 165123969) has the molecular formula C4H8ClNS and a molecular weight of 137.64 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,3-thiazine;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-1,3-thiazine;hydrochloride
PubChem CID165123969
Molecular FormulaC4H8ClNS
Molecular Weight137.64 g/mol
Exact Mass137.01
IUPAC Name3,4-dihydro-2H-1,3-thiazine;hydrochloride
SMILESC1=CSCNC1.Cl
InChIInChI=1S/C4H7NS.ClH/c1-2-5-4-6-3-1;/h1,3,5H,2,4H2;1H
InChIKeyCZMQSJQLJADMRV-UHFFFAOYSA-N
XLogP1.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.64
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dihydro-2h-1,3-thiazine-2-thione
CID 13828939
3,4-dihydro-2H-1,3-thiazine
CID 19905276
2-Methylthio-dihydro-1,3-thiazine
CID 21416561
2-Aminodihydro-1,3-thiazine
CID 68539579
(5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine
CID 23110791
2-Methylidene-3,4-dihydro-1,3-thiazine
CID 59114551
3,4-dihydro-2H-1,3-thiazocine
CID 69557103
2,3,4,7-Tetrahydro-1,3-thiazepine
CID 70641520
(E)-N-methyl-3-methylsulfanylprop-2-en-1-amine
CID 90299362
N-ethyl-3-methylsulfanylprop-2-en-1-amine
CID 91016985
Ethane;2-methylidene-3,4-dihydro-1,3-thiazine
CID 91487228
2-methyl-3,4-dihydro-2H-1,3-thiazine
CID 123686569

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,3-thiazine;hydrochloride?
The IUPAC name of 3,4-dihydro-2H-1,3-thiazine;hydrochloride (CID 165123969) is 3,4-dihydro-2H-1,3-thiazine;hydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-1,3-thiazine;hydrochloride?
The canonical SMILES for 3,4-dihydro-2H-1,3-thiazine;hydrochloride is C1=CSCNC1.Cl.
What is the InChIKey of 3,4-dihydro-2H-1,3-thiazine;hydrochloride?
The InChIKey is CZMQSJQLJADMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS.ClH/c1-2-5-4-6-3-1;/h1,3,5H,2,4H2;1H.
What are the key properties of 3,4-dihydro-2H-1,3-thiazine;hydrochloride?
3,4-dihydro-2H-1,3-thiazine;hydrochloride has a molecular weight of 137.64 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,3-thiazine;hydrochloride is sourced from PubChem (CID 165123969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).