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

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

Formula: C9H8N4O3S

SMILES: NC1=NN=C(COC2=CC=C(C=C2)[N+]([O-])=O)S1

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

InChI: InChI=1S/C9H8N4O3S/c10-9-12-11-8(17-9)5-16-7-3-1-6(2-4-7)13(14)15/h1-4H,5H2,(H2,10,12)

Composition: C (42.85%), H (3.20%), N (22.21%), O (19.03%), S (12.71%)

Molar Mass: 252.25

Atom Count: 25

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	252.031711308
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	PBNXPSIRMVBKQH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.29
Topological Polar Surface Area	104.17
Polarizability	22.53
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C9H8N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00