Chemical Properties of Chlorothen (CAS 148-65-2)

InChI

InChI=1S/C14H18ClN3S/c1-17(2)9-10-18(14-5-3-4-8-16-14)11-12-6-7-13(15)19-12/h3-8H,9-11H2,1-2H3

InChI Key

XAEXSWVTEJHRMH-UHFFFAOYSA-N

Formula

C14H18ClN3S

SMILES

CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1

Molecular Weight¹

295.83

CAS

148-65-2

Other Names

1,2-Ethanediamine, N-[(5-chloro-2-thienyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-
Pyridine, 2-[(5-chloro-2-thenyl)[2-(dimethylamino)ethyl]amino]-
Chloromethapyrilene
Chloropyrilene
Chlorothenylpyramine
Chlorthenylpyramine
Histachlorylene
Pyrithen
Tagathen
2-((5-Chloro-2-thenyl)(2-dimethylaminoethyl)amino)pyridine
N,N-Dimethyl-N'-(2-pyridyl)-N'-(5-chloro-2-thenyl)ethylenediamine
Ethylenediamine, N-(5-chloro-2-thenyl)-N',N'-dimethyl-N-2-pyridyl-
NCI-C60559
2-Thenylamine, 5-chloro-N-(2-(dimethylamino)ethyl)-N-2-pyridyl-

log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-3.52		Crippen Calculated Property
logP_oct/wat	3.365		Crippen Calculated Property
McVol	223.430	ml/mol	McGowan Calculated Property
I_np	[2120.00; 2153.00]
I_np	2120.00		NIST
I_np	2133.00		NIST
I_np	2153.00		NIST
I_np	2120.00		NIST
I_np	2133.00		NIST

Similar Compounds

Find more compounds similar to Chlorothen.

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