6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride

C11H13Cl3N3S- — CID 45108828

IUPAC6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride
SMILESCN1CN=C(SCc2ccc(Cl)c(Cl)c2)NC1.[Cl-]
InChIInChI=1S/C11H13Cl2N3S.ClH/c1-16-6-14-11(15-7-16)17-5-8-2-3-9(12)10(13)4-8;/h2-4H,5-7H2,1H3,(H,14,15);1H/p-1
InChIKeyXOBRXOSLCWJIEW-UHFFFAOYSA-M
MW325.67 g/mol
LogP0.04
Rot. Bonds2

About 6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride

6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride (PubChem CID 45108828) has the molecular formula C11H13Cl3N3S- and a molecular weight of 325.67 g/mol. Its IUPAC name is 6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride.

Molecular Properties

Compound Name6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride
PubChem CID45108828
Molecular FormulaC11H13Cl3N3S-
Molecular Weight325.67 g/mol
Exact Mass323.99
IUPAC Name6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride
SMILESCN1CN=C(SCc2ccc(Cl)c(Cl)c2)NC1.[Cl-]
InChIInChI=1S/C11H13Cl2N3S.ClH/c1-16-6-14-11(15-7-16)17-5-8-2-3-9(12)10(13)4-8;/h2-4H,5-7H2,1H3,(H,14,15);1H/p-1
InChIKeyXOBRXOSLCWJIEW-UHFFFAOYSA-M
XLogP0.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.67
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-({[(3,4-Dichlorophenyl)methyl]sulfanyl}methanimidoyl)guanidine
CID 11995526
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 409779
2-[(3,4-Dichlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine;hydrochloride
CID 6602910
3-Chlorobenzyl 1,4,5,6-tetrahydro-2-pyrimidinyl sulfide
CID 9549733
4-(4-Chlorobenzylthio)-1-methyl-1,2,3,6-tetrahydro-1,3,5-triazine
CID 2806726
2-[(3,4-Dichlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine
CID 2383454
6-[(4-chlorophenyl)methylsulfanyl]-3-ethyl-2,4-dihydro-1H-1,3,5-triazine
CID 2806738
2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 5351706
(3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate
CID 8866483
(4-chlorophenyl)methyl N,N'-dimethylcarbamimidothioate;perchloric acid
CID 49866160
2-[6-[(3,4-dichlorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol chloride
CID 45108827
3-tert-butyl-6-[(4-chlorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine chloride
CID 45108832

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride?
The IUPAC name of 6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride (CID 45108828) is 6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride.
What is the SMILES notation for 6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride?
The canonical SMILES for 6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride is CN1CN=C(SCc2ccc(Cl)c(Cl)c2)NC1.[Cl-].
What is the InChIKey of 6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride?
The InChIKey is XOBRXOSLCWJIEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13Cl2N3S.ClH/c1-16-6-14-11(15-7-16)17-5-8-2-3-9(12)10(13)4-8;/h2-4H,5-7H2,1H3,(H,14,15);1H/p-1.
What are the key properties of 6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride?
6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride has a molecular weight of 325.67 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-2,4-dihydro-1H-1,3,5-triazine chloride is sourced from PubChem (CID 45108828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).