Cas no 114669-11-3 (Benzaldehyde,3-amino-4-mercapto-)
114669-11-3 structure
Product Name:Benzaldehyde,3-amino-4-mercapto-
CAS No:114669-11-3
MF:C7H7NOS
MW:153.201580286026
CID:130410
PubChem ID:14206994
Update Time:2025-04-19
Benzaldehyde,3-amino-4-mercapto- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,3-amino-4-mercapto-
- 3-amino-4-sulfanylbenzaldehyde
- Benzaldehyde, 3-amino-4-mercapto- (9CI)
- 114669-11-3
- 3-Amino-4-mercaptobenzaldehyde
- DTXSID40557427
- SCHEMBL6517219
-
- Inchi： 1S/C7H7NOS/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H,8H2
- InChI Key： HDDSZPGQRRVXCR-UHFFFAOYSA-N
- SMILES： SC1=CC=C(C=O)C=C1N
Computed Properties
- Exact Mass: 153.02491
- Monoisotopic Mass: 153.02483502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 129
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 43.09
Benzaldehyde,3-amino-4-mercapto- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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