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

3-cyclopropyl-1,4-thiazepane hydrochloride

CAS No.:
2137647-48-2
Catalog Number:
AG01EJ1I
Molecular Formula:
C8H16ClNS
Molecular Weight:
193.7373
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Product Description
Catalog Number:
AG01EJ1I
Chemical Name:
3-cyclopropyl-1,4-thiazepane hydrochloride
CAS Number:
2137647-48-2
Molecular Formula:
C8H16ClNS
Molecular Weight:
193.7373
MDL Number:
MFCD31446556
IUPAC Name:
3-cyclopropyl-1,4-thiazepane;hydrochloride
InChI:
InChI=1S/C8H15NS.ClH/c1-4-9-8(6-10-5-1)7-2-3-7;/h7-9H,1-6H2;1H
InChI Key:
MKMZRWFIFGZFNL-UHFFFAOYSA-N
SMILES:
C1CCNC(CS1)C1CC1.Cl
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.733g/mol
Monoisotopic Mass:
193.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties