7-(methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine

7-(methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine

CAS: 1183512-25-5

Formula: C9H11NO2S

SMILES: CSC1=CC2=C(OCCO2)C=C1N

IUPAC: 7-(methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine

InChI: InChI=1S/C9H11NO2S/c1-13-9-5-8-7(4-6(9)10)11-2-3-12-8/h4-5H,2-3,10H2,1H3

Composition: C (54.80%), H (5.62%), N (7.10%), O (16.22%), S (16.25%)

Molar Mass: 197.25

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.051049772
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BOXXRJVACCXEKH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.47
Topological Polar Surface Area	44.48
Polarizability	20.67
Ring Count	2
Rotatable Bond Count	1

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