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5-Methyl-4-(propylamino)-4H-1,2,4-triazole-3-thiol

5-Methyl-4-(propylamino)-4H-1,2,4-triazole-3-thiol - CAS 1018053-32-1

Catalog:	BB048038
Product Name:	5-Methyl-4-(propylamino)-4H-1,2,4-triazole-3-thiol
CAS:	1018053-32-1
Synonyms:	5-methyl-4-(propylamino)-1,2,4-triazole-3-thiol; 4H-1,2,4-triazole-3-thiol, 5-methyl-4-(propylamino)-

Technical Data

Computed Properties

IUPAC Name:	3-methyl-4-(propylamino)-1H-1,2,4-triazole-5-thione
Description:	5-Methyl-4-(propylamino)-4H-1,2,4-triazole-3-thiol (CAS# 1018053-32-1 ) is a useful research chemical.
Molecular Weight:	172.25
Molecular Formula:	C6H12N4S
Canonical SMILES:	CCCNN1C(=NNC1=S)C
InChI:	InChI=1S/C6H12N4S/c1-3-4-7-10-5(2)8-9-6(10)11/h7H,3-4H2,1-2H3,(H,9,11)
InChI Key:	DBBFZDQQJDWSKD-UHFFFAOYSA-N
Boiling Point:	308.2±25.0 °C at 760 mmHg
Purity:	97 %
Density:	1.3±0.1 g/cm³

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[52147-97-4]
trans-β-Styrenesulfonyl chloride

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[1823402-59-0]
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823842-92-7]
Ethyl 4-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.07826757
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	172.07826757
Rotatable Bond Count:	3
Topological Polar Surface Area:	71.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6