2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine

C8H12ClN3OS — CID 62859364

IUPAC2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine
SMILESCCC(C)Sc1nc(Cl)nc(OC)n1
InChIInChI=1S/C8H12ClN3OS/c1-4-5(2)14-8-11-6(9)10-7(12-8)13-3/h5H,4H2,1-3H3
InChIKeyGFKJZWXBBKLIBU-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.42
Rot. Bonds4

About 2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine

2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine (PubChem CID 62859364) has the molecular formula C8H12ClN3OS and a molecular weight of 233.72 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine
PubChem CID62859364
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC Name2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine
SMILESCCC(C)Sc1nc(Cl)nc(OC)n1
InChIInChI=1S/C8H12ClN3OS/c1-4-5(2)14-8-11-6(9)10-7(12-8)13-3/h5H,4H2,1-3H3
InChIKeyGFKJZWXBBKLIBU-UHFFFAOYSA-N
XLogP2.42
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine (CID 62859364) is 2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine is CCC(C)Sc1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine?
The InChIKey is GFKJZWXBBKLIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3OS/c1-4-5(2)14-8-11-6(9)10-7(12-8)13-3/h5H,4H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine?
2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine has a molecular weight of 233.72 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-4-chloro-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 62859364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).