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Sulfur Compounds
2-[(1-Methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid

2-[(1-Methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid - CAS 869942-41-6

Catalog:	BB049693
Product Name:	2-[(1-Methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid
CAS:	869942-41-6
Synonyms:	2-(1-methyl-1,2,3,4-tetraazol-5-ylthio)propanoic acid

Technical Data

Computed Properties

IUPAC Name:	2-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
Description:	2-[(1-Methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid (CAS# 869942-41-6 ) is a useful research chemical.
Molecular Weight:	188.21
Molecular Formula:	C5H8N4O2S
Canonical SMILES:	CC(C(=O)O)SC1=NN=NN1C
InChI:	InChI=1S/C5H8N4O2S/c1-3(4(10)11)12-5-6-7-8-9(5)2/h3H,1-2H3,(H,10,11)
InChI Key:	KZFCUJBAOQBABS-UHFFFAOYSA-N
Boiling Point:	400.8±47.0 °C at 760 mmHg
Density:	1.6±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[85-47-2]
1-Naphthalenesulfonic acid
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

Triazole/Tetrazole

[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.03679668
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.03679668
Rotatable Bond Count:	3
Topological Polar Surface Area:	106
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4