4-methyl-1,4-thiazine-3-thione

C5H7NS2 — CID 21403288

IUPAC4-methyl-1,4-thiazine-3-thione
SMILESCN1C=CSCC1=S
InChIInChI=1S/C5H7NS2/c1-6-2-3-8-4-5(6)7/h2-3H,4H2,1H3
InChIKeyNGSDBBSZSJSGOO-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.46
Rot. Bonds

About 4-methyl-1,4-thiazine-3-thione

4-methyl-1,4-thiazine-3-thione (PubChem CID 21403288) has the molecular formula C5H7NS2 and a molecular weight of 145.25 g/mol. Its IUPAC name is 4-methyl-1,4-thiazine-3-thione.

Molecular Properties

Compound Name4-methyl-1,4-thiazine-3-thione
PubChem CID21403288
Molecular FormulaC5H7NS2
Molecular Weight145.25 g/mol
Exact Mass145.00
IUPAC Name4-methyl-1,4-thiazine-3-thione
SMILESCN1C=CSCC1=S
InChIInChI=1S/C5H7NS2/c1-6-2-3-8-4-5(6)7/h2-3H,4H2,1H3
InChIKeyNGSDBBSZSJSGOO-UHFFFAOYSA-N
XLogP1.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-thiazine-3-thione?
The IUPAC name of 4-methyl-1,4-thiazine-3-thione (CID 21403288) is 4-methyl-1,4-thiazine-3-thione.
What is the SMILES notation for 4-methyl-1,4-thiazine-3-thione?
The canonical SMILES for 4-methyl-1,4-thiazine-3-thione is CN1C=CSCC1=S.
What is the InChIKey of 4-methyl-1,4-thiazine-3-thione?
The InChIKey is NGSDBBSZSJSGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS2/c1-6-2-3-8-4-5(6)7/h2-3H,4H2,1H3.
What are the key properties of 4-methyl-1,4-thiazine-3-thione?
4-methyl-1,4-thiazine-3-thione has a molecular weight of 145.25 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-thiazine-3-thione is sourced from PubChem (CID 21403288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).