3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine

C11H23N3S — CID 141057769

IUPAC3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
SMILESCCN1CN=C(SC)N(C(C)C(C)C)C1
InChIInChI=1S/C11H23N3S/c1-6-13-7-12-11(15-5)14(8-13)10(4)9(2)3/h9-10H,6-8H2,1-5H3
InChIKeyRKVSHCGTSOMHPD-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.30
Rot. Bonds3

About 3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine

3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine (PubChem CID 141057769) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
PubChem CID141057769
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
SMILESCCN1CN=C(SC)N(C(C)C(C)C)C1
InChIInChI=1S/C11H23N3S/c1-6-13-7-12-11(15-5)14(8-13)10(4)9(2)3/h9-10H,6-8H2,1-5H3
InChIKeyRKVSHCGTSOMHPD-UHFFFAOYSA-N
XLogP2.30
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dimethyl-ethyl)-N'ethyl-6(methylthio)-S-triazine
CID 129731761
1-ethyl-1-(3-methylbutan-2-yl)-2-methylsulfanyl-2H-1,3,5-triazin-1-ium
CID 67869336
1-Ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine
CID 67897258
6-Methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine
CID 140975193
3-Tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
CID 141169218
methyl N,N-dimethyl-N'-[(2S)-3-methylbutan-2-yl]carbamimidothioate
CID 173991139
methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate
CID 174074554
methyl N'-cyano-N-methyl-N-(3-methylbutan-2-yl)carbamimidothioate
CID 80489824

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine?
The IUPAC name of 3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine (CID 141057769) is 3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine?
The canonical SMILES for 3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine is CCN1CN=C(SC)N(C(C)C(C)C)C1.
What is the InChIKey of 3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine?
The InChIKey is RKVSHCGTSOMHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-6-13-7-12-11(15-5)14(8-13)10(4)9(2)3/h9-10H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine?
3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine has a molecular weight of 229.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 141057769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).