Cas no 175205-52-4 (Benzenecarbothioamide,4-(1,2,3-thiadiazol-4-yl)-)
175205-52-4 structure
Product Name:Benzenecarbothioamide,4-(1,2,3-thiadiazol-4-yl)-
CAS No:175205-52-4
MF:C9H7N3S2
MW:221.301978349686
CID:133901
PubChem ID:2739333
Update Time:2025-04-19
Benzenecarbothioamide,4-(1,2,3-thiadiazol-4-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbothioamide,4-(1,2,3-thiadiazol-4-yl)-
- 4-(1,2,3-THIADIAZOL-4-YL)BENZENE-1-CARBOTHIOAMIDE
- 4-(1,2,3-thiadiazol-4-yl)benzothioamide
- 4-(thiadiazol-4-yl)benzenecarbothioamide
- HMS562L08
- 4-(1,2,3-THIADIAZOL-4-YL)THIOBENZAMIDE
- Maybridge1_007466
- DTXSID10372306
- AKOS015908779
- FT-0616441
- MFCD00085169
- 4-(1,2,3-thiadiazol-4-yl)benzenecarbothioamide
- 4-(1,2,3-thiadiazol-4-yl)benzene-1-carbothioamide, AldrichCPR
- SCHEMBL3882889
- 175205-52-4
- CAKITRYMTNXHMC-UHFFFAOYSA-N
-
- Inchi： 1S/C9H7N3S2/c10-9(13)7-3-1-6(2-4-7)8-5-14-12-11-8/h1-5H,(H2,10,13)
- InChI Key： CAKITRYMTNXHMC-UHFFFAOYSA-N
- SMILES： S1C=C(C2C=CC(C(N)=S)=CC=2)N=N1
Computed Properties
- Exact Mass: 221.00800
- Monoisotopic Mass: 221.00813958g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 214
- 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: 1.9
- Topological Polar Surface Area: 112?2
Experimental Properties
- Density: 1.407
- Boiling Point: 404.2°Cat760mmHg
- Flash Point: 198.2°C
- Refractive Index: 1.712
- PSA: 112.13000
- LogP: 2.53960
Benzenecarbothioamide,4-(1,2,3-thiadiazol-4-yl)- Security Information
- Hazard Category Code： 22
-
Hazardous Material Identification：
Benzenecarbothioamide,4-(1,2,3-thiadiazol-4-yl)- Related Literature
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1. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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