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3313-27-7,MFCD00599591
Catalog No.:AA00C7GL

3313-27-7 | TRANS-THIOTHIXENE

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  • Technical Information
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Technical Information
Catalog Number:
AA00C7GL
Chemical Name:
TRANS-THIOTHIXENE
CAS Number:
3313-27-7
Molecular Formula:
C23H29N3O2S2
Molecular Weight:
443.6253
MDL Number:
MFCD00599591
SMILES:
CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
Properties
Computed Properties
 
Complexity:
711  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
5  
XLogP3:
3.8  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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