Cas no 2962-76-7 (Carbamimidothioic acid,9-anthracenylmethyl ester, hydrochloride (1:1))
2962-76-7 structure
Product Name:Carbamimidothioic acid,9-anthracenylmethyl ester, hydrochloride (1:1)
CAS No:2962-76-7
MF:C16H15ClN2S
MW:302.821701288223
CID:278380
PubChem ID:24193008
Update Time:2025-04-19
Carbamimidothioic acid,9-anthracenylmethyl ester, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Carbamimidothioic acid,9-anthracenylmethyl ester, hydrochloride (1:1)
- anthracen-9-ylmethyl carbamimidothioate,hydrochloride
- (9-Anthracenemethyl)thiouronium chloride
- 9-Anthrylmethylisothioharnstoff Hydrochlorid
- NSC146108
- 2962-76-7
- NSC-146108
- (Anthracen-9-yl)methyl carbamimidothioate--hydrogen chloride (1/1)
- DTXSID20638283
-
- Inchi： 1S/C16H14N2S.ClH/c17-16(18)19-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;/h1-9H,10H2,(H3,17,18);1H
- InChI Key： RHFJLAVDQKRMBH-UHFFFAOYSA-N
- SMILES： Cl.S(C(=N)N)CC1C2C=CC=CC=2C=C2C=CC=CC=12
Computed Properties
- Exact Mass: 266.08792
- Monoisotopic Mass: 302.064447
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 309
- 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: 75.2
Experimental Properties
- Density: 1.25
- Boiling Point: 481.9°Cat760mmHg
- Flash Point: 245.2°C
- Refractive Index: 1.678
- PSA: 49.87
- LogP: 5.72170
Carbamimidothioic acid,9-anthracenylmethyl ester, hydrochloride (1:1) Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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