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503-87-7,MFCD00005277
Catalog No.:AA003HVC
503-87-7 | 2-Thiohydantoin
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Purity
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Quantity
  
1g
95%
in stock  
$22.00   $15.00
- +
5g
95%
in stock  
$43.00   $30.00
- +
25g
95%
in stock  
$172.00   $120.00
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100g
95%
in stock  
$604.00   $423.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HVC
Chemical Name:
2-Thiohydantoin
CAS Number:
503-87-7
Molecular Formula:
C3H4N2OS
Molecular Weight:
116.1417
MDL Number:
MFCD00005277
IUPAC Name:
2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C3H4N2OS/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
InChI Key:
UGWULZWUXSCWPX-UHFFFAOYSA-N
SMILES:
O=C1CNC(=S)N1
EC Number:
207-977-4
UNII:
CP2PH1A61R
NSC Number:
11772
Properties
Computed Properties
 
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.004g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
116.138g/mol
Monoisotopic Mass:
116.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  

Synonyms
 
2-Thiohydantoin 
503-87-7 
2-sulfanylideneimidazolidin-4-one 
EINECS 207-977-4 
UNII-CP2PH1A61R 
BRN 0110599 
CP2PH1A61R 
AI3-61106 
UGWULZWUXSCWPX-UHFFFAOYSA-N 
2-Thiohydantoin, 98% 
2-thioxo-1,3-diazolidin-4-one 
NSC11772 
Thiohydantoin 
Glycine thiohydantoin 
ACMC-20anmj 
AC1LOYAS 
2-Thiohydantoin, 99% 
SCHEMBL27418 
4-Imidazolidinone,2-thioxo- 
WLN: T5MYMV EHJ BUS 
5-24-05-00241 (Beilstein Handbook Reference) 
2-Thioxo-4-imidazolidinone # 
CHEMBL1958109 
2-thioxoimidazolidin-4-one 
DTXSID2060121 
SCHEMBL17153849 
CTK4J2562 
2-sulfanylidene-4-imidazolidinone 
ZINC1089842 
BBL037427 
BDBM50207238 
MFCD00005277 
NSC-11772 
SBB056249 
4-Imidazolidinone, 2-thioxo- 
STK202136 
AKOS000120714 
AKOS017268991 
MCULE-3766479597 
TRA0059255 
VZ25212 
AN-45392 
LS-76295 
P460 
ZB016006 
2-Thioguidanthion 
DB-021538 
TC-170290 
FT-0613441 
ST50307953 
K-9326 
138985-EP2272849A1 
138985-EP2292586A2 
503T877 
A828095 
W-202893 
HYDANTOIN, 2-THIO- 
I14-49354 
C3H4N2OS 
C3-H4-N2-O-S 
CID1274030 
USAF BE-25 
2-Thioxo-4-imidazolidinone 
NSC 11772 
Literature

Title: Privileged scaffolds or promiscuous binders: a comparative study on rhodanines and related heterocycles in medicinal chemistry.

Journal: Journal of medicinal chemistry 20120126

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