Pentachlorobenzylthiomethanol
Basic information
- CAS
74037-63-1- Standard SMILES
OCSCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
VMLLIOFVQNIJFU-UHFFFAOYSA-N- Molecular formula
- C8H5Cl5OS
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 323.850374
Names & identifiers
- Preferred name
- Pentachlorobenzylthiomethanol
- IUPAC
- (2,3,4,5,6-pentachlorophenyl)methylsulfanylmethanol
- English name
- [(2,3,4,5,6-Pentachlorobenzyl)thio]methanol
- Molecular weight
- 0
Names & synonyms
Methanol, pentachlorobenzylthio-Pentachlorobenzylthiomethanol74037-63-1GHQ4SNH8VQNSC-190379Methanol, (((pentachlorophenyl)methyl)thio)-Methanol, [[(pentachlorophenyl)methyl]thio]-RefChem:1094454Hydroxymethylpentachlorobenzyl sulfideNSC 190379DTXSID80995364NSC190379
Show more names
[(2,3,4,5,6-Pentachlorobenzyl)thio]methanol
WLN: Q1S1R BG CG DG EG FG{[(Pentachlorophenyl)methyl]sulfanyl}methanol1-[[(2,3,4,5,6-Pentachlorophenyl)methyl]thio]methanolMethanol, 1-[[(2,3,4,5,6-pentachlorophenyl)methyl]thio]-
Database identifiers
- CAS
74037-63-1- PubChem CID
- 99153
- DTXSID
DTXSID80995364- UNII
- GHQ4SNH8VQ
- Nikkaji
- J85.464F
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- FDA UNII
- 4 SNH8VQ · GHQ4SNH8VQ
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Related reactions
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Compound notes
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