Cas no 65902-13-8 (Carbamothioic acid, dimethyl-, S-1-naphthalenyl ester)
65902-13-8 structure
Product Name:Carbamothioic acid, dimethyl-, S-1-naphthalenyl ester
CAS No:65902-13-8
MF:C13H13NOS
MW:231.313421964645
CID:1705267
PubChem ID:17748131
Update Time:2025-04-21
Carbamothioic acid, dimethyl-, S-1-naphthalenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamothioic acid, dimethyl-, S-1-naphthalenyl ester
- S-naphthalen-1-yl N,N-dimethylcarbamothioate
- SCHEMBL11763563
- DTXSID00589946
- S-Naphthalen-1-yl dimethylcarbamothioate
- 65902-13-8
-
- Inchi： 1S/C13H13NOS/c1-14(2)13(15)16-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
- InChI Key： XBWXQMLMNCVHTF-UHFFFAOYSA-N
- SMILES： S(C(N(C)C)=O)C1C=CC=C2C=CC=CC2=1
Computed Properties
- Exact Mass: 231.07189
- Monoisotopic Mass: 231.07178521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 254
- 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: 3.5
- Topological Polar Surface Area: 45.6?2
Experimental Properties
- PSA: 20.31
Carbamothioic acid, dimethyl-, S-1-naphthalenyl ester Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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