6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine

C11H23N3S — CID 140975188

IUPAC6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine
SMILESCCSC1=NCN(C(C)C)CN1C(C)C
InChIInChI=1S/C11H23N3S/c1-6-15-11-12-7-13(9(2)3)8-14(11)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyNJWRKTPERRFYCT-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.44
Rot. Bonds3

About 6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine

6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine (PubChem CID 140975188) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine
PubChem CID140975188
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine
SMILESCCSC1=NCN(C(C)C)CN1C(C)C
InChIInChI=1S/C11H23N3S/c1-6-15-11-12-7-13(9(2)3)8-14(11)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyNJWRKTPERRFYCT-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine
CID 67897258
1,3-Diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
CID 70229989
6-Methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine
CID 140975193
4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine
CID 141278124
N,5-dimethyl-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 156447235
1-Ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine
CID 166733208
1-Methyl-2-(1-methylsulfanylethyl)-1-propan-2-ylguanidine
CID 173810061
propan-2-yl N-propan-2-yl-N-(5-propan-2-yl-4-propan-2-ylsulfanyl-6-sulfanylidene-1,3,5-triazin-2-yl)carbamodithioate
CID 13683485
1-Methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylguanidine
CID 112660649

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine?
The IUPAC name of 6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine (CID 140975188) is 6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine?
The canonical SMILES for 6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine is CCSC1=NCN(C(C)C)CN1C(C)C.
What is the InChIKey of 6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine?
The InChIKey is NJWRKTPERRFYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-6-15-11-12-7-13(9(2)3)8-14(11)10(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine?
6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine has a molecular weight of 229.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 140975188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).