Home Other Building Blocks 3-cyclopropyl-1lambda6,4-thiazepane-1,1-dione hydrochloride

3-cyclopropyl-1lambda6,4-thiazepane-1,1-dione hydrochloride

CAS No.:
2138164-22-2
Catalog Number:
AG01EJ3O
Molecular Formula:
C8H16ClNO2S
Molecular Weight:
225.7361
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Product Description
Catalog Number:
AG01EJ3O
Chemical Name:
3-cyclopropyl-1lambda6,4-thiazepane-1,1-dione hydrochloride
CAS Number:
2138164-22-2
Molecular Formula:
C8H16ClNO2S
Molecular Weight:
225.7361
MDL Number:
MFCD31447122
IUPAC Name:
3-cyclopropyl-1,4-thiazepane 1,1-dioxide;hydrochloride
InChI:
InChI=1S/C8H15NO2S.ClH/c10-12(11)5-1-4-9-8(6-12)7-2-3-7;/h7-9H,1-6H2;1H
InChI Key:
NRYZDDSOAOJBFW-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCNC(C1)C1CC1.Cl
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.731g/mol
Monoisotopic Mass:
225.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties