Home Aminos (4-aminotetrahydro-2H-thiopyran-4-yl)acetic acid

(4-aminotetrahydro-2H-thiopyran-4-yl)acetic acid

CAS No.:
37631-93-9
Catalog Number:
AG00J8C1
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
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Product Description
Catalog Number:
AG00J8C1
Chemical Name:
(4-aminotetrahydro-2H-thiopyran-4-yl)acetic acid
CAS Number:
37631-93-9
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
MDL Number:
MFCD20529375
IUPAC Name:
2-(4-aminothian-4-yl)acetic acid
InChI:
InChI=1S/C7H13NO2S/c8-7(5-6(9)10)1-3-11-4-2-7/h1-5,8H2,(H,9,10)
InChI Key:
AGEPUGUICFKKBP-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(N)CCSCC1
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.067g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
175.246g/mol
Monoisotopic Mass:
175.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9  
Properties