3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol

C8H12ClN3O2S — CID 107770967

IUPAC3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol
SMILESCOc1nc(Cl)nc(SC(C)C(C)O)n1
InChIInChI=1S/C8H12ClN3O2S/c1-4(13)5(2)15-8-11-6(9)10-7(12-8)14-3/h4-5,13H,1-3H3
InChIKeyRXZFEFCNHBLMBI-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.39
Rot. Bonds4

About 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol

3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol (PubChem CID 107770967) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol
PubChem CID107770967
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol
SMILESCOc1nc(Cl)nc(SC(C)C(C)O)n1
InChIInChI=1S/C8H12ClN3O2S/c1-4(13)5(2)15-8-11-6(9)10-7(12-8)14-3/h4-5,13H,1-3H3
InChIKeyRXZFEFCNHBLMBI-UHFFFAOYSA-N
XLogP1.39
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol with MolForge

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Related Compounds

3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 66138340
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
CID 107772731
2-chloro-4-methoxy-6-(3-methylbutylsulfanyl)-1,3,5-triazine
CID 107751314
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-3-phenylpropanoic acid
CID 62859648
2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine
CID 62858857
2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine
CID 62859308
2-(4-chlorobutan-2-ylsulfanyl)-4,6-dimethoxy-1,3,5-triazine
CID 66138773
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
CID 107772904
N-but-3-yn-2-yl-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 114417966
2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
CID 14177471
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923542
1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol
CID 113430529

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol?
The IUPAC name of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol (CID 107770967) is 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol.
What is the SMILES notation for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol?
The canonical SMILES for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol is COc1nc(Cl)nc(SC(C)C(C)O)n1.
What is the InChIKey of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol?
The InChIKey is RXZFEFCNHBLMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-4(13)5(2)15-8-11-6(9)10-7(12-8)14-3/h4-5,13H,1-3H3.
What are the key properties of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol?
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol has a molecular weight of 249.72 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol is sourced from PubChem (CID 107770967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).