3-isothiocyanato-5-methyl-1,2-oxazole

3-isothiocyanato-5-methyl-1,2-oxazole

CAS: 321309-33-5

Formula: C5H4N2OS

SMILES: CC1=CC(N=C=S)=NO1

IUPAC: 3-isothiocyanato-5-methyl-1,2-oxazole

InChI: InChI=1S/C5H4N2OS/c1-4-2-5(6-3-9)7-8-4/h2H,1H3

Composition: C (42.85%), H (2.88%), N (19.99%), O (11.41%), S (22.87%)

Molar Mass: 140.16

Atom Count: 13

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	140.004433931
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YADFBVUOBWXDRZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.03
Topological Polar Surface Area	38.39
Polarizability	13.8
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	321309-33-5		$1,900.00-$5,599.00$1,900.00$1,920.00$5,599.00