4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine

C8H15N3S — CID 141278124

IUPAC4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine
SMILESCCSC1=NCN(C(C)C)C=N1
InChIInChI=1S/C8H15N3S/c1-4-12-8-9-5-11(6-10-8)7(2)3/h5,7H,4,6H2,1-3H3
InChIKeyWSJFNDGBHDWRKG-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.81
Rot. Bonds2

About 4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine

4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine (PubChem CID 141278124) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine.

Molecular Properties

Compound Name4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine
PubChem CID141278124
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine
SMILESCCSC1=NCN(C(C)C)C=N1
InChIInChI=1S/C8H15N3S/c1-4-12-8-9-5-11(6-10-8)7(2)3/h5,7H,4,6H2,1-3H3
InChIKeyWSJFNDGBHDWRKG-UHFFFAOYSA-N
XLogP1.81
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-methylsulfanyl-1-propan-2-yl-2H-1,3,5-triazin-1-ium
CID 67897256
1-Ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine
CID 67897258
6-Ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine
CID 140975188
6-Methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine
CID 140975193
N,5-dimethyl-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 156447235
N-methyl-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 156447354
1-Methyl-2-(1-methylsulfanylethyl)-1-propan-2-ylguanidine
CID 173810061

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine?
The IUPAC name of 4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine (CID 141278124) is 4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine.
What is the SMILES notation for 4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine?
The canonical SMILES for 4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine is CCSC1=NCN(C(C)C)C=N1.
What is the InChIKey of 4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine?
The InChIKey is WSJFNDGBHDWRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-12-8-9-5-11(6-10-8)7(2)3/h5,7H,4,6H2,1-3H3.
What are the key properties of 4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine?
4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine has a molecular weight of 185.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1-propan-2-yl-2H-1,3,5-triazine is sourced from PubChem (CID 141278124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).