Home Other Building Blocks 2-[(1,3-thiazol-4-ylmethyl)sulfanyl]acetic acid

2-[(1,3-thiazol-4-ylmethyl)sulfanyl]acetic acid

CAS No.:
933757-96-1
Catalog Number:
AG01A1VV
Molecular Formula:
C6H7NO2S2
Molecular Weight:
189.2553
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Product Description
Catalog Number:
AG01A1VV
Chemical Name:
2-[(1,3-thiazol-4-ylmethyl)sulfanyl]acetic acid
CAS Number:
933757-96-1
Molecular Formula:
C6H7NO2S2
Molecular Weight:
189.2553
MDL Number:
MFCD11171028
IUPAC Name:
2-(1,3-thiazol-4-ylmethylsulfanyl)acetic acid
InChI:
InChI=1S/C6H7NO2S2/c8-6(9)3-10-1-5-2-11-4-7-5/h2,4H,1,3H2,(H,8,9)
InChI Key:
ZSBUPURMNJXHDH-UHFFFAOYSA-N
SMILES:
OC(=O)CSCc1cscn1
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.992g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.247g/mol
Monoisotopic Mass:
188.992g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties