4-methyl-2,3-dihydro-1,4-thiazine-3-thiol

C5H9NS2 — CID 88824834

IUPAC4-methyl-2,3-dihydro-1,4-thiazine-3-thiol
SMILESCN1C=CSCC1S
InChIInChI=1S/C5H9NS2/c1-6-2-3-8-4-5(6)7/h2-3,5,7H,4H2,1H3
InChIKeyYFRJCICHEPRZJK-UHFFFAOYSA-N
MW147.27 g/mol
LogP1.39
Rot. Bonds

About 4-methyl-2,3-dihydro-1,4-thiazine-3-thiol

4-methyl-2,3-dihydro-1,4-thiazine-3-thiol (PubChem CID 88824834) has the molecular formula C5H9NS2 and a molecular weight of 147.27 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1,4-thiazine-3-thiol.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1,4-thiazine-3-thiol
PubChem CID88824834
Molecular FormulaC5H9NS2
Molecular Weight147.27 g/mol
Exact Mass147.02
IUPAC Name4-methyl-2,3-dihydro-1,4-thiazine-3-thiol
SMILESCN1C=CSCC1S
InChIInChI=1S/C5H9NS2/c1-6-2-3-8-4-5(6)7/h2-3,5,7H,4H2,1H3
InChIKeyYFRJCICHEPRZJK-UHFFFAOYSA-N
XLogP1.39
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1,4-thiazine-3-thiol?
The IUPAC name of 4-methyl-2,3-dihydro-1,4-thiazine-3-thiol (CID 88824834) is 4-methyl-2,3-dihydro-1,4-thiazine-3-thiol.
What is the SMILES notation for 4-methyl-2,3-dihydro-1,4-thiazine-3-thiol?
The canonical SMILES for 4-methyl-2,3-dihydro-1,4-thiazine-3-thiol is CN1C=CSCC1S.
What is the InChIKey of 4-methyl-2,3-dihydro-1,4-thiazine-3-thiol?
The InChIKey is YFRJCICHEPRZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS2/c1-6-2-3-8-4-5(6)7/h2-3,5,7H,4H2,1H3.
What are the key properties of 4-methyl-2,3-dihydro-1,4-thiazine-3-thiol?
4-methyl-2,3-dihydro-1,4-thiazine-3-thiol has a molecular weight of 147.27 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1,4-thiazine-3-thiol is sourced from PubChem (CID 88824834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).