4-methyl-2,3-dihydro-1,4-thiazine;dihydrate

C5H13NO2S — CID 145468022

IUPAC4-methyl-2,3-dihydro-1,4-thiazine;dihydrate
SMILESCN1C=CSCC1.O.O
InChIInChI=1S/C5H9NS.2H2O/c1-6-2-4-7-5-3-6;;/h2,4H,3,5H2,1H3;2*1H2
InChIKeyFEHTWWBKOMVXJO-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.51
Rot. Bonds

About 4-methyl-2,3-dihydro-1,4-thiazine;dihydrate

4-methyl-2,3-dihydro-1,4-thiazine;dihydrate (PubChem CID 145468022) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1,4-thiazine;dihydrate.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1,4-thiazine;dihydrate
PubChem CID145468022
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name4-methyl-2,3-dihydro-1,4-thiazine;dihydrate
SMILESCN1C=CSCC1.O.O
InChIInChI=1S/C5H9NS.2H2O/c1-6-2-4-7-5-3-6;;/h2,4H,3,5H2,1H3;2*1H2
InChIKeyFEHTWWBKOMVXJO-UHFFFAOYSA-N
XLogP-0.51
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Xemljnlycnpyiu-aatrikpksa-
CID 23264363
4-Methyl-2,3-dihydro-1,4-thiazine
CID 20497619
4-Ethyl-1,4-thiazine
CID 68027210
2-(Ethylsulfanyl)-N,N-dimethylethen-1-amine
CID 71393439
4-Methyl-2,3-dihydro-1,4-thiazine-3-thiol
CID 88824834
4,4-Dimethyl-1,4-thiazin-4-ium
CID 123718998
4-Methyl-2,3-dihydro-1,4-thiazine 1-oxide
CID 145467203
[(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium
CID 12635180

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1,4-thiazine;dihydrate?
The IUPAC name of 4-methyl-2,3-dihydro-1,4-thiazine;dihydrate (CID 145468022) is 4-methyl-2,3-dihydro-1,4-thiazine;dihydrate.
What is the SMILES notation for 4-methyl-2,3-dihydro-1,4-thiazine;dihydrate?
The canonical SMILES for 4-methyl-2,3-dihydro-1,4-thiazine;dihydrate is CN1C=CSCC1.O.O.
What is the InChIKey of 4-methyl-2,3-dihydro-1,4-thiazine;dihydrate?
The InChIKey is FEHTWWBKOMVXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS.2H2O/c1-6-2-4-7-5-3-6;;/h2,4H,3,5H2,1H3;2*1H2.
What are the key properties of 4-methyl-2,3-dihydro-1,4-thiazine;dihydrate?
4-methyl-2,3-dihydro-1,4-thiazine;dihydrate has a molecular weight of 151.23 g/mol, XLogP of -0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1,4-thiazine;dihydrate is sourced from PubChem (CID 145468022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).