5-(1-Ethylpentyl)-1,3,4-thiadiazol-2-amine - CAS 299934-91-1

Catalog:	BB045823
Product Name:	5-(1-Ethylpentyl)-1,3,4-thiadiazol-2-amine
CAS:	299934-91-1
Synonyms:	5-(heptan-3-yl)-1,3,4-thiadiazol-2-amine; 5-(ethylpentyl)-1,3,4-thiadiazole-2-ylamine

Technical Data

Computed Properties

IUPAC Name:	5-heptan-3-yl-1,3,4-thiadiazol-2-amine
Description:	5-(1-Ethylpentyl)-1,3,4-thiadiazol-2-amine (CAS# 299934-91-1 ) is a useful research chemical.
Molecular Weight:	199.32
Molecular Formula:	C9H17N3S
Canonical SMILES:	CCCCC(CC)C1=NN=C(S1)N
InChI:	InChI=1S/C9H17N3S/c1-3-5-6-7(4-2)8-11-12-9(10)13-8/h7H,3-6H2,1-2H3,(H2,10,12)
InChI Key:	AMLAKWGYWRCQAT-UHFFFAOYSA-N
Boiling Point:	323.7±25.0 °C (Predicted)
Density:	1.084±0.06 g/cm³ (Predicted)

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Related Functional Groups

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Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.11431873
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.11431873
Rotatable Bond Count:	5
Topological Polar Surface Area:	80
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3