Cas no 27249-63-4 (Benzenecarbodithioic acid, propyl ester)
27249-63-4 structure
Product Name:Benzenecarbodithioic acid, propyl ester
CAS No:27249-63-4
MF:C10H12S2
MW:196.332280158997
CID:1429927
PubChem ID:578124
Update Time:2025-04-20
Benzenecarbodithioic acid, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbodithioic acid, propyl ester
- propyl benzenecarbodithioate
- DTXSID70342045
- Benzoic acid, dithio-, propyl ester
- Propyl dithiobenzoate
- SCHEMBL7584115
- propyl dithio benzoate
- 27249-63-4
-
- Inchi： 1S/C10H12S2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- InChI Key： IRIVASWWWGVFNW-UHFFFAOYSA-N
- SMILES： S(C(C1C=CC=CC=1)=S)CCC
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: 4
- Complexity: 137
- 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: 3.8
- Topological Polar Surface Area: 57.4?2
Experimental Properties
- PSA: 0
Benzenecarbodithioic acid, propyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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