Cas no 5925-56-4 (Benzenecarbodithioic acid, 1-methylethyl ester)
5925-56-4 structure
Product Name:Benzenecarbodithioic acid, 1-methylethyl ester
CAS No:5925-56-4
MF:C10H12S2
MW:196.332280158997
CID:1613915
PubChem ID:13512765
Update Time:2025-04-21
Benzenecarbodithioic acid, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbodithioic acid, 1-methylethyl ester
- 1-Methylethyl benzenecarbodithioate
- 1-methylethyldithiobenzoate
- DTXSID301293590
- 5925-56-4
- SCHEMBL17998686
-
- Inchi： 1S/C10H12S2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
- InChI Key： XEVWHEPHOAYGEZ-UHFFFAOYSA-N
- SMILES： S(C(C1C=CC=CC=1)=S)C(C)C
Computed Properties
- Exact Mass: 196.03816
- Monoisotopic Mass: 196.03804273g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 146
- 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: 3.7
- Topological Polar Surface Area: 57.4?2
Experimental Properties
- PSA: 0
Benzenecarbodithioic acid, 1-methylethyl ester Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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