5-chloro-3-(chloromethyl)-1,2,4-thiadiazole - CAS 74461-64-6

Name: 5-chloro-3-(chloromethyl)-1,2,4-thiadiazole
Brand: BOC Sciences
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Catalog:	BB035088
Product Name:	5-chloro-3-(chloromethyl)-1,2,4-thiadiazole
CAS:	74461-64-6
Synonyms:	5-chloro-3-(chloromethyl)-1,2,4-thiadiazole

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-3-(chloromethyl)-1,2,4-thiadiazole
Description:	5-chloro-3-(chloromethyl)-1,2,4-thiadiazole (CAS# 74461-64-6) is a useful research chemical.
Molecular Weight:	169.03
Molecular Formula:	C3H2Cl2N2S
Canonical SMILES:	C(C1=NSC(=N1)Cl)Cl
InChI:	InChI=1S/C3H2Cl2N2S/c4-1-2-6-3(5)8-7-2/h1H2
InChI Key:	FFFMIFUBJZBTCG-UHFFFAOYSA-N
Boiling Point:	55 °C / 1 mmHg
Purity:	95 %
Density:	1.609 g/cm³
MDL:	MFCD00096470
LogP:	1.93030

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Related Functional Groups

Oxadiazole/Thiadiazole

[881476-28-4]C14H11F3N4O3
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
[1170931-46-0]C11H13N5O5
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1170802-11-5]C9H9ClN4O3
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]C9H9IN4O3
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[1171337-26-0]C11H13ClN4O3
Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170042-55-3]C12H16N4O3
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
EP-2802571-A1	Benzimidazole derivatives as mch receptor antagonists	20120112
TW-201427968-A	Aromatic ring compound	20120112
US-2015018363-A1	Benzimidazole derivatives as mch receptor antagonists	20120112
US-9365540-B2	Benzimidazole derivatives as MCH receptor antagonists	20120112
WO-2013105676-A1	Benzimidazole derivatives as mch receptor antagonists	20120112

Complexity:	81.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.9315746
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.9315746
Rotatable Bond Count:	1
Topological Polar Surface Area:	54 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1