2H-1,3-Thiazine, tetrahydro-

Substructure search Find similar structures

Basic information

CAS: 543-71-5
Standard SMILES: C1CNCSC1
InChIKey: HOQOADCYROWGQA-UHFFFAOYSA-N
Molecular formula: C4H9NS
Average molar mass: 103.19 g/mol
Monoisotopic mass: 103.04557046

Names & identifiers

Preferred name: 2H-1,3-Thiazine, tetrahydro-
IUPAC: 1,3-thiazinane

Names & synonyms

Penthiazole1,3-ThiazaneTetrahydro-2H-1,3-thiazineTetrahydro-1,3-thiazine2H-1,3-Thiazine, tetrahydro-BRN 0102526DTXSID902026574-27-00-00014 (Beilstein Handbook Reference)RefChem:267844DTXCID201251481,3-thiazinane543-71-5

Show more names

SCHEMBL38045SCHEMBL234601SCHEMBL234654SCHEMBL235479SCHEMBL235576SCHEMBL236454SCHEMBL346913SCHEMBL5465326

Database identifiers

CAS: 543-71-5
PubChem CID: 120280
DTXSID: DTXSID90202657
Nikkaji: J1.978.939J

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 38.5

Related reactions

1 records

New reaction record

HRID 826595As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

Loading…