Cas no 15657-79-1 (1,4-Benzenedithiol, 2,5-diamino-)
15657-79-1 structure
Product Name:1,4-Benzenedithiol, 2,5-diamino-
CAS No:15657-79-1
MF:C6H8N2S2
MW:172.271118164063
CID:1335166
PubChem ID:4598355
Update Time:2025-04-20
1,4-Benzenedithiol, 2,5-diamino- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedithiol, 2,5-diamino-
- 2,5-diaminobenzene-1,4-dithiol
- 2,5-Dimercaptobenzene-1,4-diamine
- 2,5-diamino-1,4-benzenedithiol
- 2,5-DIAMINO-1,4-BENZENE DITHIOL
- SCHEMBL718735
- 15657-79-1
- starbld0002122
- DTXSID10404717
- 2,5-diamino-1,4-dimercaptobenzene
-
- Inchi： 1S/C6H8N2S2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H,7-8H2
- InChI Key： AHUNLCWALDZRQE-UHFFFAOYSA-N
- SMILES： SC1C=C(C(=CC=1N)S)N
Computed Properties
- Exact Mass: 172.01304
- Monoisotopic Mass: 172.01289061g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 106
- 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: 54?2
Experimental Properties
- PSA: 52.04
1,4-Benzenedithiol, 2,5-diamino- Related Literature
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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