2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine

C10H11Cl2N5S — CID 107306669

IUPAC2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1SCc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2N5S/c11-8-3-1-2-7(9(8)12)6-18-10-14-15-16-17(10)5-4-13/h1-3H,4-6,13H2
InChIKeyUEZKXOIGJCLQMK-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.23
Rot. Bonds5

About 2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine

2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine (PubChem CID 107306669) has the molecular formula C10H11Cl2N5S and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
PubChem CID107306669
Molecular FormulaC10H11Cl2N5S
Molecular Weight304.21 g/mol
Exact Mass303.01
IUPAC Name2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1SCc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2N5S/c11-8-3-1-2-7(9(8)12)6-18-10-14-15-16-17(10)5-4-13/h1-3H,4-6,13H2
InChIKeyUEZKXOIGJCLQMK-UHFFFAOYSA-N
XLogP2.23
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(4-chloro-3-fluorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 114012355
2-[5-[(2-chloro-3-fluorophenyl)methylsulfanyl]tetrazol-1-yl]acetic acid
CID 112651716
[5-[(2,3-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 107306664
2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 113454341
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182253
2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine
CID 84758899
2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
CID 66052129
2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol
CID 104795012
1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 833720
2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
CID 66097605
3,4-dicyclopropyl-5-[(2,3-dichlorophenyl)methylsulfanyl]-1,2,4-triazole
CID 130364519
methyl 2-[2-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]phenyl]acetate
CID 115465794

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine (CID 107306669) is 2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine is NCCn1nnnc1SCc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine?
The InChIKey is UEZKXOIGJCLQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5S/c11-8-3-1-2-7(9(8)12)6-18-10-14-15-16-17(10)5-4-13/h1-3H,4-6,13H2.
What are the key properties of 2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine?
2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine has a molecular weight of 304.21 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine is sourced from PubChem (CID 107306669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).