Text Search
Structure Search

tert-butyl N-(1,1-dioxo-1??-thietan-3-yl)carbamate

tert-butyl N-(1,1-dioxo-1??-thietan-3-yl)carbamate

CAS: 1332628-90-6

Formula: C8H15NO4S

SMILES: CC(C)(C)OC(=O)NC1CS(=O)(=O)C1

IUPAC: tert-butyl N-(1,1-dioxo-1??-thietan-3-yl)carbamate

InChI: InChI=1S/C8H15NO4S/c1-8(2,3)13-7(10)9-6-4-14(11,12)5-6/h6H,4-5H2,1-3H3,(H,9,10)

Composition: C (43.43%), H (6.83%), N (6.33%), O (28.92%), S (14.49%)

Molar Mass: 221.27

Atom Count: 29

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 221.072179141
Formal Charge 0
FSP3 0.87
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WGLOHRRCJKFLCS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.06
Topological Polar Surface Area 72.47
Polarizability 20.94
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1332628-90-6 $509.44$509.44
Request Quote