Home Other Building Blocks 1lambda6,4,5-thiadiazepane-1,1-dione hydrochloride

1lambda6,4,5-thiadiazepane-1,1-dione hydrochloride

CAS No.:
1135051-02-3
Catalog Number:
AG01EJYF
Molecular Formula:
C4H11ClN2O2S
Molecular Weight:
186.6603
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Product Description
Catalog Number:
AG01EJYF
Chemical Name:
1lambda6,4,5-thiadiazepane-1,1-dione hydrochloride
CAS Number:
1135051-02-3
Molecular Formula:
C4H11ClN2O2S
Molecular Weight:
186.6603
MDL Number:
MFCD31615594
IUPAC Name:
1,4,5-thiadiazepane 1,1-dioxide;hydrochloride
InChI:
InChI=1S/C4H10N2O2S.ClH/c7-9(8)3-1-5-6-2-4-9;/h5-6H,1-4H2;1H
InChI Key:
UUBHITWTNYMJEE-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCNNCC1.Cl
NSC Number:
152604
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
186.654g/mol
Monoisotopic Mass:
186.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties