Cas no 16437-66-4 (1,2-Hydrazinedicarbothioamide, N-phenyl-)
16437-66-4 structure
Product Name:1,2-Hydrazinedicarbothioamide, N-phenyl-
CAS No:16437-66-4
MF:C8H10N4S2
MW:226.321797847748
CID:1343784
PubChem ID:730662
Update Time:2025-04-20
1,2-Hydrazinedicarbothioamide, N-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Hydrazinedicarbothioamide, N-phenyl-
- 1-(carbamothioylamino)-3-phenylthiourea
- SCHEMBL10794044
- AN-329/40792235
- N-phenylhydrazine-1,2-dicarbothioamide
- N~1~-phenyl-1,2-hydrazinedicarbothioamide
- CHEMBL1406262
- DTXSID30352640
- 1-phenyl-3-thioureido-thiourea
- 3-(CARBAMOTHIOYLAMINO)-1-PHENYLTHIOUREA
- cid_730662
- HMS2626K18
- BDBM67262
- 1,2-Hydrazinedicarbothioamide, N1-phenyl-
- 16437-66-4
- STK024209
- SMR000228735
- 1-(carbamothioylamino)-3-phenyl-thiourea
- AKOS000349029
- MLS000701422
-
- Inchi： 1S/C8H10N4S2/c9-7(13)11-12-8(14)10-6-4-2-1-3-5-6/h1-5H,(H3,9,11,13)(H2,10,12,14)
- InChI Key： FIHOHVWGFOGPAR-UHFFFAOYSA-N
- SMILES： S=C(NNC(N)=S)NC1C=CC=CC=1
Computed Properties
- Exact Mass: 226.0349
- Monoisotopic Mass: 226.03468868g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 213
- 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: 1.1
- Topological Polar Surface Area: 126?2
Experimental Properties
- PSA: 62.11
1,2-Hydrazinedicarbothioamide, N-phenyl- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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