2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide

C5H10INS2 — CID 122360671

IUPAC2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide
SMILESCSC1=NCCCS1.I
InChIInChI=1S/C5H9NS2.HI/c1-7-5-6-3-2-4-8-5;/h2-4H2,1H3;1H
InChIKeyVQQSRLWMLUXINM-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.46
Rot. Bonds

About 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide

2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide (PubChem CID 122360671) has the molecular formula C5H10INS2 and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide.

Molecular Properties

Compound Name2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide
PubChem CID122360671
Molecular FormulaC5H10INS2
Molecular Weight275.18 g/mol
Exact Mass274.93
IUPAC Name2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide
SMILESCSC1=NCCCS1.I
InChIInChI=1S/C5H9NS2.HI/c1-7-5-6-3-2-4-8-5;/h2-4H2,1H3;1H
InChIKeyVQQSRLWMLUXINM-UHFFFAOYSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide?
The IUPAC name of 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide (CID 122360671) is 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide.
What is the SMILES notation for 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide?
The canonical SMILES for 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide is CSC1=NCCCS1.I.
What is the InChIKey of 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide?
The InChIKey is VQQSRLWMLUXINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS2.HI/c1-7-5-6-3-2-4-8-5;/h2-4H2,1H3;1H.
What are the key properties of 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide?
2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide has a molecular weight of 275.18 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;hydroiodide is sourced from PubChem (CID 122360671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).