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207596-23-4 | Thiourea, N-[2-(4-chlorophenyl)ethyl]-
CAS No: 207596-23-4 Catalog No: AG002J56 MDL No:MFCD14653378
Product Description
Catalog Number:
AG002J56
Chemical Name:
Thiourea, N-[2-(4-chlorophenyl)ethyl]-
CAS Number:
207596-23-4
Molecular Formula:
C9H11ClN2S
Molecular Weight:
214.7150
MDL Number:
MFCD14653378
IUPAC Name:
2-(4-chlorophenyl)ethylthiourea
InChI:
InChI=1S/C9H11ClN2S/c10-8-3-1-7(2-4-8)5-6-12-9(11)13/h1-4H,5-6H2,(H3,11,12,13)
InChI Key:
YYWDZZBBJUQVJR-UHFFFAOYSA-N
SMILES:
NC(=S)NCCc1ccc(cc1)Cl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.711g/mol
Monoisotopic Mass:
214.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase. | Bioorganic & medicinal chemistry letters 20100901 |
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