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101848-19-5 | Carbamic acid, [5-(methylthio)-1,2,4-thiadiazol-3-yl]-, methyl ester (9CI)
CAS No: 101848-19-5 Catalog No: AG0005PR MDL No:MFCD00846949
Product Description
Catalog Number:
AG0005PR
Chemical Name:
Carbamic acid, [5-(methylthio)-1,2,4-thiadiazol-3-yl]-, methyl ester (9CI)
CAS Number:
101848-19-5
Molecular Formula:
C5H7N3O2S2
Molecular Weight:
205.2580
MDL Number:
MFCD00846949
IUPAC Name:
methyl N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)carbamate
InChI:
InChI=1S/C5H7N3O2S2/c1-10-4(9)6-3-7-5(11-2)12-8-3/h1-2H3,(H,6,8,9)
InChI Key:
LYZSOLCAGKJRBQ-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1nsc(n1)SC
Properties
Complexity:
169
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:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.25g/mol
Monoisotopic Mass:
204.998g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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