(4S)-2,4-dimethyl-4H-1,3-thiazine

C6H9NS — CID 143909815

IUPAC(4S)-2,4-dimethyl-4H-1,3-thiazine
SMILESCC1=N[C@@H](C)C=CS1
InChIInChI=1S/C6H9NS/c1-5-3-4-8-6(2)7-5/h3-5H,1-2H3/t5-/m0/s1
InChIKeyRXWIEZNPRCJTDA-YFKPBYRVSA-N
MW127.21 g/mol
LogP2.05
Rot. Bonds

About (4S)-2,4-dimethyl-4H-1,3-thiazine

(4S)-2,4-dimethyl-4H-1,3-thiazine (PubChem CID 143909815) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is (4S)-2,4-dimethyl-4H-1,3-thiazine.

Molecular Properties

Compound Name(4S)-2,4-dimethyl-4H-1,3-thiazine
PubChem CID143909815
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name(4S)-2,4-dimethyl-4H-1,3-thiazine
SMILESCC1=N[C@@H](C)C=CS1
InChIInChI=1S/C6H9NS/c1-5-3-4-8-6(2)7-5/h3-5H,1-2H3/t5-/m0/s1
InChIKeyRXWIEZNPRCJTDA-YFKPBYRVSA-N
XLogP2.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dimethyl-4H-1,3-thiazine?
The IUPAC name of (4S)-2,4-dimethyl-4H-1,3-thiazine (CID 143909815) is (4S)-2,4-dimethyl-4H-1,3-thiazine.
What is the SMILES notation for (4S)-2,4-dimethyl-4H-1,3-thiazine?
The canonical SMILES for (4S)-2,4-dimethyl-4H-1,3-thiazine is CC1=N[C@@H](C)C=CS1.
What is the InChIKey of (4S)-2,4-dimethyl-4H-1,3-thiazine?
The InChIKey is RXWIEZNPRCJTDA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-3-4-8-6(2)7-5/h3-5H,1-2H3/t5-/m0/s1.
What are the key properties of (4S)-2,4-dimethyl-4H-1,3-thiazine?
(4S)-2,4-dimethyl-4H-1,3-thiazine has a molecular weight of 127.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dimethyl-4H-1,3-thiazine is sourced from PubChem (CID 143909815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).