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89390-09-0 | Benzenecarbothioamide, N-ethyl-2-mercapto-
CAS No: 89390-09-0 Catalog No: AG003WD0 MDL No:MFCD20679624
Product Description
Catalog Number:
AG003WD0
Chemical Name:
Benzenecarbothioamide, N-ethyl-2-mercapto-
CAS Number:
89390-09-0
Molecular Formula:
C9H11NS2
Molecular Weight:
197.3203
MDL Number:
MFCD20679624
IUPAC Name:
N-ethyl-2-sulfanylbenzenecarbothioamide
InChI:
InChI=1S/C9H11NS2/c1-2-10-9(12)7-5-3-4-6-8(7)11/h3-6,11H,2H2,1H3,(H,10,12)
InChI Key:
YGKVQTUVENIXGM-UHFFFAOYSA-N
SMILES:
CCNC(=S)c1ccccc1S
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.314g/mol
Monoisotopic Mass:
197.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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