2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine

C11H12ClN3O2S — CID 114000821

IUPAC2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
SMILESCc1occc1Sc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C11H12ClN3O2S/c1-6(2)17-10-13-9(12)14-11(15-10)18-8-4-5-16-7(8)3/h4-6H,1-3H3
InChIKeyDVJHEJGIUUSYGN-UHFFFAOYSA-N
MW285.76 g/mol
LogP3.36
Rot. Bonds4

About 2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 114000821) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
PubChem CID114000821
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
SMILESCc1occc1Sc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C11H12ClN3O2S/c1-6(2)17-10-13-9(12)14-11(15-10)18-8-4-5-16-7(8)3/h4-6H,1-3H3
InChIKeyDVJHEJGIUUSYGN-UHFFFAOYSA-N
XLogP3.36
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine (CID 114000821) is 2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine is Cc1occc1Sc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is DVJHEJGIUUSYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-6(2)17-10-13-9(12)14-11(15-10)18-8-4-5-16-7(8)3/h4-6H,1-3H3.
What are the key properties of 2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 285.76 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 114000821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).