5-(3,5-dimethylphenoxymethyl)-1,3,4-thiadiazol-2-amine

5-(3,5-dimethylphenoxymethyl)-1,3,4-thiadiazol-2-amine

Formula: C11H13N3OS

SMILES: CC1=CC(OCC2=NN=C(N)S2)=CC(C)=C1

IUPAC: 5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

InChI: InChI=1S/C11H13N3OS/c1-7-3-8(2)5-9(4-7)15-6-10-13-14-11(12)16-10/h3-5H,6H2,1-2H3,(H2,12,14)

Composition: C (56.15%), H (5.57%), N (17.86%), O (6.80%), S (13.62%)

Molar Mass: 235.31

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	235.077933225
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QZBLPRBQNVTFNK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.05
Topological Polar Surface Area	61.03
Polarizability	24.04
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H13N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00