4-methyl-1,3-benzothiazole-2-thiol

4-methyl-1,3-benzothiazole-2-thiol

CAS: 2268-77-1

Formula: C8H7NS2

SMILES: CC1=C2N=C(S)SC2=CC=C1

IUPAC: 4-methyl-1,3-benzothiazole-2-thiol

InChI: InChI=1S/C8H7NS2/c1-5-3-2-4-6-7(5)9-8(10)11-6/h2-4H,1H3,(H,9,10)

Composition: C (53.01%), H (3.89%), N (7.73%), S (35.37%)

Molar Mass: 181.27

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	181.001991577
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	JACGKHGTBZGVMW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.65
Topological Polar Surface Area	12.89
Polarizability	20.46
Ring Count	2
Rotatable Bond Count	0

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	2268-77-1		$6.21-$145.94$6.21$10.35$32.09$145.94