methyl 3-(chlorosulfonyl)-4-(4-methylphenyl)thiophene-2-carboxylate

methyl 3-(chlorosulfonyl)-4-(4-methylphenyl)thiophene-2-carboxylate

Formula: C13H11ClO4S2

SMILES: COC(=O)C1=C(C(=CS1)C1=CC=C(C)C=C1)S(Cl)(=O)=O

IUPAC: methyl 3-(chlorosulfonyl)-4-(4-methylphenyl)thiophene-2-carboxylate

InChI: InChI=1S/C13H11ClO4S2/c1-8-3-5-9(6-4-8)10-7-19-11(13(15)18-2)12(10)20(14,16)17/h3-7H,1-2H3

Composition: C (47.20%), H (3.35%), Cl (10.72%), O (19.35%), S (19.38%)

Molar Mass: 330.8

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	329.9787289
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ABYSYBYMFKPVGA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.34
Topological Polar Surface Area	60.44
Polarizability	32.23
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H11ClO4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00