Text Search
Structure Search

2-[(tert-butoxycarbonyl)amino]-4-sulfanylbutanoic acid

2-[(tert-butoxycarbonyl)amino]-4-sulfanylbutanoic acid

CAS: 252373-69-6

Formula: C9H17NO4S

SMILES: CC(C)(C)OC(=O)NC(CCS)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-4-sulfanylbutanoic acid

InChI: InChI=1/C9H17NO4S/c1-9(2,3)14-8(13)10-6(4-5-15)7(11)12/h6,15H,4-5H2,1-3H3,(H,10,13)(H,11,12)

Composition: C (45.94%), H (7.28%), N (5.95%), O (27.20%), S (13.63%)

Molar Mass: 235.3

Atom Count: 32

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 235.087829205
Formal Charge 0
FSP3 0.78
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey PQADCRYOPOVXDV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.81
Topological Polar Surface Area 75.63
Polarizability 22.87
Ring Count 0
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 252373-69-6 $516.35-$3,447.70$516.35$917.70$3,447.70
Request Quote