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868065-15-0 | 1-(1,3-thiazol-2-yl)-1,4-diazepane
CAS No: 868065-15-0 Catalog No: AG00JSVN MDL No:MFCD09729966
Product Description
Catalog Number:
AG00JSVN
Chemical Name:
1-(1,3-thiazol-2-yl)-1,4-diazepane
CAS Number:
868065-15-0
Molecular Formula:
C8H13N3S
Molecular Weight:
183.2739
MDL Number:
MFCD09729966
IUPAC Name:
2-(1,4-diazepan-1-yl)-1,3-thiazole
InChI:
InChI=1S/C8H13N3S/c1-2-9-3-6-11(5-1)8-10-4-7-12-8/h4,7,9H,1-3,5-6H2
InChI Key:
YFODOQRAEQFQHL-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)c1nccs1
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.083g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.273g/mol
Monoisotopic Mass:
183.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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