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10253-83-5,MFCD00125876
Catalog No.:AA0007KO
10253-83-5 | 2-Mercapto-5-anilino-1,3,4-thiadiazole
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  • Technical Information
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Technical Information
Catalog Number:
AA0007KO
Chemical Name:
2-Mercapto-5-anilino-1,3,4-thiadiazole
CAS Number:
10253-83-5
Molecular Formula:
C8H7N3S2
Molecular Weight:
209.2913
MDL Number:
MFCD00125876
IUPAC Name:
5-anilino-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C8H7N3S2/c12-8-11-10-7(13-8)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)
InChI Key:
BOJLJKMUGYYKCZ-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(s1)Nc1ccccc1
EC Number:
233-592-6
Properties
Computed Properties
 
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.008g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.285g/mol
Monoisotopic Mass:
209.008g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
10253-83-5 
5-(phenylamino)-1,3,4-thiadiazole-2-thiol 
2-Mercapto-5-anilino-1,3,4-thiadiazole 
MLS000711623 
CHEMBL289356 
5-anilino-3H-1,3,4-thiadiazole-2-thione 
SMR000281390 
Thiadiazole, 2-anilino-5-mercapto-1,3,4- 
AC1Q7GKK 
Maybridge4_003659 
AC1LE67Q 
AC1Q7F4A 
5-Anilino-1,3,4-thiadiazole-2-thiol 
Oprea1_019972 
cid_707055 
SCHEMBL8045369 
BDBM44137 
CTK4A1179 
DTXSID80145261 
BOJLJKMUGYYKCZ-UHFFFAOYSA-N 
HMS1531G07 
HMS2636P15 
HMS3361G19 
5-(Phenylamino)-1,3,4-thiadiazole-2(3H)-thione 
MFCD00125876 
STK727283 
ZINC13114103 
AKOS000117228 
AKOS027381265 
CCG-246653 
MCULE-9602642601 
NE39999 
NCGC00245202-01 
LS-150316 
5-Phenylamino-[1,3,4]thiadiazole-2-thiol 
ST4114018 
2-phenylamino-5-mercapto-1,3,4-thiadiazole 
EN300-06433 
2-mercapto-5-phenyl-amino-1,3,4-thiadia-zole 
5-phenylazanyl-3H-1,3,4-thiadiazole-2-thione 
1,3,4-Thiadiazole-2(3H)-thione,5-(phenylamino)- 
Z56926534 
A3724/0157809 
C8H7N3S2 
C8-H7-N3-S2 
5-Anilino-1,3,4-thiadiazole-2(3H)-thione 
AR-1G7243 
CID707055 
1,3,4-Thiadiazolidine-2-thione, 5-(phenylimino)- 
102613-39-8 
EINECS 233-592-6 
1,3,4-Thiadiazole-2(3H)-thione, 5-anilino- 
1,3,4-Thiadiazole-2(3H)-thione, 5-(phenylamino)- 
BAS 00890534 
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

Title: Protease inhibitors: synthesis of matrix metalloproteinase and bacterial collagenase inhibitors incorporating 5-amino-2-mercapto-1,3,4-thiadiazole zinc binding functions.

Journal: Bioorganic & medicinal chemistry letters 20021007

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