2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol

C12H17N3OS — CID 741680

IUPAC2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol
SMILESOCCN1CN=C(SCc2ccccc2)NC1
InChIInChI=1S/C12H17N3OS/c16-7-6-15-9-13-12(14-10-15)17-8-11-4-2-1-3-5-11/h1-5,16H,6-10H2,(H,13,14)
InChIKeyCYXBIMKIAYKHPQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.09
Rot. Bonds4

About 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol

2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol (PubChem CID 741680) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol
PubChem CID741680
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol
SMILESOCCN1CN=C(SCc2ccccc2)NC1
InChIInChI=1S/C12H17N3OS/c16-7-6-15-9-13-12(14-10-15)17-8-11-4-2-1-3-5-11/h1-5,16H,6-10H2,(H,13,14)
InChIKeyCYXBIMKIAYKHPQ-UHFFFAOYSA-N
XLogP1.09
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-6-[(4-methylphenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;hydrochloride
CID 2806733
3-ethyl-6-[(4-methylphenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 2806734
1-[6-[(4-chlorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazin-3-yl]propan-2-ol chloride
CID 45108826
1-[6-[(4-chlorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazin-3-yl]propan-2-ol
CID 2806840
3-ethyl-6-[(4-methylphenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine chloride
CID 45108481
6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride
CID 134119508
2-benzylsulfanyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 142864324
2-[4-(Benzylthio)-3,6-dihydro-1,3,5-triazin-1(2H)-yl]ethanol hydrochloride
CID 2770492
1-[6-[(4-chlorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazin-3-yl]propan-2-ol;hydrochloride
CID 2806839
2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-1-ium-3-yl)ethanol
CID 3608988
2-(6-Benzylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol
CID 5076379
6-Benzylsulfanyl-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium
CID 6929854

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol?
The IUPAC name of 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol (CID 741680) is 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol.
What is the SMILES notation for 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol?
The canonical SMILES for 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol is OCCN1CN=C(SCc2ccccc2)NC1.
What is the InChIKey of 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol?
The InChIKey is CYXBIMKIAYKHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-7-6-15-9-13-12(14-10-15)17-8-11-4-2-1-3-5-11/h1-5,16H,6-10H2,(H,13,14).
What are the key properties of 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol?
2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol has a molecular weight of 251.35 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol is sourced from PubChem (CID 741680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).