Cas no 6640-13-7 ( )
structure
Product Name:
CAS No:6640-13-7
MF:C12H13ClN2S2
MW:284.828018903732
CID:963920
PubChem ID:54599340
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-[(2-aminophenyl)disulfanyl]aniline,hydrochloride
- NSC49112
- NSC-49112
- 6640-13-7
- DTXSID50712727
- 2,2'-Disulfanediyldianiline--hydrogen chloride (1/1)
-
-
- Inchi： 1S/C12H12N2S2.ClH/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14;/h1-8H,13-14H2;1H
- InChI Key： QPBITDMLYUBGNN-UHFFFAOYSA-N
- SMILES： Cl.S(C1C=CC=CC=1N)SC1C=CC=CC=1N
Computed Properties
- Exact Mass: 248.04436
- Monoisotopic Mass: 284.0208685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 191
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 103?2
Experimental Properties
- PSA: 38.05
- LogP: 5.61480
Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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