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3-methyl-3-sulfanylbutyl formate

3-methyl-3-sulfanylbutyl formate

CAS: 50746-10-6

Formula: C6H12O2S

SMILES: CC(C)(S)CCOC=O

IUPAC: 3-methyl-3-sulfanylbutyl formate

InChI: InChI=1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3

Composition: C (48.62%), H (8.16%), O (21.59%), S (21.63%)

Molar Mass: 148.22

Atom Count: 21

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 148.0558008
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey VTAPYUYITKYXJB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.26
Topological Polar Surface Area 26.3
Polarizability 15.62
Ring Count 0
Rotatable Bond Count 4

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