4,6-dichloro-2H-thiochromene-3-carbaldehyde

4,6-dichloro-2H-thiochromene-3-carbaldehyde

CAS: 54949-15-4

Formula: C10H6Cl2OS

SMILES: ClC1=CC=C2SCC(C=O)=C(Cl)C2=C1

IUPAC: 4,6-dichloro-2H-thiochromene-3-carbaldehyde

InChI: InChI=1S/C10H6Cl2OS/c11-7-1-2-9-8(3-7)10(12)6(4-13)5-14-9/h1-4H,5H2

Composition: C (49.00%), H (2.47%), Cl (28.92%), O (6.53%), S (13.08%)

Molar Mass: 245.12

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.9516414
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DJCRJCROFFNHCT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.33
Topological Polar Surface Area	17.07
Polarizability	23.56
Ring Count	2
Rotatable Bond Count	1

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