Cas no 7400-44-4 (3-octadecylsulfanylpropane-1,2-diol)
7400-44-4 structure
Product Name:3-octadecylsulfanylpropane-1,2-diol
CAS No:7400-44-4
MF:C21H44O2S
MW:360.637866020203
CID:1764742
PubChem ID:245962
Update Time:2025-04-21
3-octadecylsulfanylpropane-1,2-diol Chemical and Physical Properties
Names and Identifiers
-
- 3-octadecylsulfanylpropane-1,2-diol
- NCIOpen2_007804
- 1-octadecylthio-rac-glycerol
- NSC58443
- DL-thiobatyl alcohol
- (+-)-2.3-Dihydroxypropyl-octadecyl-sulfid
- AC1Q77MB
- 3-octadecylsulfanyl-propane-1,2-diol
- Thiobatylalkohol
- octadecylthio-1 propanediol-2,3
- 1-S-octadecyl-rac-thioglycerol
- 3-(octadecylsulfanyl)propane-1,2-diol
- 2.3-Dihydroxypropyl-octadecan-sulfid
- AR-1E7877
- CTK2H9177
- AC1L6H1I
- NCIOpen2_007804; 1-octadecylthio-rac-glycerol; NSC58443; DL-thiobatyl alcohol; (+-)-2.3-Dihydroxypropyl-octadecyl-sulfid; AC1Q77MB; 3-octadecylsulfanyl-propane-1,2-diol; Thiobatylalkohol; octadecylthio-1 propanediol-2,3; 1-S-octadecyl-rac-thioglycerol; 3-(octadecylsulfanyl)propane-1,2-diol; 2.3-Dihydroxypropyl-octadecan-sulfid; AR-1E7877; CTK2H9177; AC1L6H1I;
- DTXSID10288993
- 1-n-octadecylthio-2,3-propanediol
- WHCHVADSXPASOY-UHFFFAOYSA-N
- 3-(1-octadecylthio)propan-1,2-diol
- SCHEMBL11200004
- 3-octadecylthio-propane-1,2 diol
- NSC-58443
- 7400-44-4
-
- Inchi： 1S/C21H44O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3
- InChI Key： WHCHVADSXPASOY-UHFFFAOYSA-N
- SMILES： S(CC(CO)O)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 360.30642
- Monoisotopic Mass: 360.30620182g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 20
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.4
- Topological Polar Surface Area: 65.8?2
Experimental Properties
- Density: 0.937
- Boiling Point: 489.8°C at 760 mmHg
- Flash Point: 237.5°C
- Refractive Index: 1.485
- PSA: 40.46
- LogP: 6.33430
3-octadecylsulfanylpropane-1,2-diol Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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