Home Other Building Blocks ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate

ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate

CAS No.:
55327-40-7
Catalog Number:
AG01EIT0
Molecular Formula:
C5H7N3O2S2
Molecular Weight:
205.2580
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Product Description
Catalog Number:
AG01EIT0
Chemical Name:
ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate
CAS Number:
55327-40-7
Molecular Formula:
C5H7N3O2S2
Molecular Weight:
205.2580
MDL Number:
MFCD01764203
IUPAC Name:
ethyl N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamate
InChI:
InChI=1S/C5H7N3O2S2/c1-2-10-4(9)6-3-7-8-5(11)12-3/h2H2,1H3,(H,8,11)(H,6,7,9)
InChI Key:
OKJDHIGLNFMGQQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1nnc(s1)S
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.998g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.25g/mol
Monoisotopic Mass:
204.998g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties