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

C10H21N3S — CID 140975193

IUPAC6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine
SMILESCSC1=NCN(C(C)C)CN1C(C)C
InChIInChI=1S/C10H21N3S/c1-8(2)12-6-11-10(14-5)13(7-12)9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyKMBKCICLGJDBAD-UHFFFAOYSA-N
MW215.37 g/mol
LogP2.05
Rot. Bonds2

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

6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine (PubChem CID 140975193) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine
PubChem CID140975193
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine
SMILESCSC1=NCN(C(C)C)CN1C(C)C
InChIInChI=1S/C10H21N3S/c1-8(2)12-6-11-10(14-5)13(7-12)9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyKMBKCICLGJDBAD-UHFFFAOYSA-N
XLogP2.05
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 52.05
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
[[Di(propan-2-yl)amino]-methylsulfanylmethylidene]-dimethylazanium iodide
CID 176442201
Methyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]-propan-2-ylazanium iodide
CID 176442203
2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
CID 12504521
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
1,3-Diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
CID 70229989
[[Butan-2-yl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
CID 87807824
Dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium
CID 87895845
1-tert-butyl-1-ethyl-6-methylsulfanyl-2H-1,3,5-triazin-1-ium
CID 123142808
methyl N-butan-2-yl-N'-ethyl-N-methylcarbamimidothioate
CID 123579688
methyl N-butan-2-yl-N-ethyl-N'-methylcarbamimidothioate
CID 123657797

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine?
The IUPAC name of 6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine (CID 140975193) is 6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine?
The canonical SMILES for 6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine is CSC1=NCN(C(C)C)CN1C(C)C.
What is the InChIKey of 6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine?
The InChIKey is KMBKCICLGJDBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-8(2)12-6-11-10(14-5)13(7-12)9(3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine?
6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine has a molecular weight of 215.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 140975193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).