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1350988-98-5 | 3-(PYRROLIDIN-1-YLMETHYL)-1,4-THIAZEPANE
CAS No: 1350988-98-5 Catalog No: AG01APMF MDL No:MFCD22836515
Product Description
Catalog Number:
AG01APMF
Chemical Name:
3-(PYRROLIDIN-1-YLMETHYL)-1,4-THIAZEPANE
CAS Number:
1350988-98-5
MDL Number:
MFCD22836515
IUPAC Name:
3-(pyrrolidin-1-ylmethyl)-1,4-thiazepane
InChI:
InChI=1S/C10H20N2S/c1-2-6-12(5-1)8-10-9-13-7-3-4-11-10/h10-11H,1-9H2
InChI Key:
MVRQYXDJZGVVRQ-UHFFFAOYSA-N
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.135g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.344g/mol
Monoisotopic Mass:
200.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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