Home Other Building Blocks Carbamothioic chloride,(3-methoxyphenyl)methyl- (9CI)

Carbamothioic chloride,(3-methoxyphenyl)methyl- (9CI)

CAS No.:
83508-58-1
Catalog Number:
AG004V2D
Molecular Formula:
C9H10ClNOS
Molecular Weight:
215.6998
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Product Description
Catalog Number:
AG004V2D
Chemical Name:
Carbamothioic chloride,(3-methoxyphenyl)methyl- (9CI)
CAS Number:
83508-58-1
Molecular Formula:
C9H10ClNOS
Molecular Weight:
215.6998
MDL Number:
MFCD03093843
IUPAC Name:
N-(3-methoxyphenyl)-N-methylcarbamothioyl chloride
InChI:
InChI=1S/C9H10ClNOS/c1-11(9(10)13)7-4-3-5-8(6-7)12-2/h3-6H,1-2H3
InChI Key:
PKDYOBNDEKFDQW-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)N(C(=S)Cl)C
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.017g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.695g/mol
Monoisotopic Mass:
215.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties