methyl 5-(dimethylphosphoryl)thiophene-2-carboxylate

methyl 5-(dimethylphosphoryl)thiophene-2-carboxylate

CAS: 2639427-93-1

Formula: C8H11O3PS

SMILES: COC(=O)C1=CC=C(S1)P(C)(C)=O

IUPAC: methyl 5-(dimethylphosphoryl)thiophene-2-carboxylate

InChI: InChI=1S/C8H11O3PS/c1-11-8(9)6-4-5-7(13-6)12(2,3)10/h4-5H,1-3H3

Composition: C (44.04%), H (5.08%), O (22.00%), P (14.19%), S (14.69%)

Molar Mass: 218.21

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.016652386
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FQRWWLQOZIZORX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.75
Topological Polar Surface Area	43.37
Polarizability	20.48
Ring Count	1
Rotatable Bond Count	3

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