1-bromo-3-methanesulfonylpropane

1-bromo-3-methanesulfonylpropane

CAS: 859940-73-1

Formula: C4H9BrO2S

SMILES: CS(=O)(=O)CCCBr

IUPAC: 1-bromo-3-methanesulfonylpropane

InChI: InChI=1S/C4H9BrO2S/c1-8(6,7)4-2-3-5/h2-4H2,1H3

Composition: C (23.89%), H (4.51%), Br (39.74%), O (15.91%), S (15.94%)

Molar Mass: 201.08

Atom Count: 17

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	199.950664
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BNECODFCHDCLDN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.64
Topological Polar Surface Area	34.14
Polarizability	15.23
Ring Count	0
Rotatable Bond Count	3

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