(2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol

C14H18OS2 — CID 10378267

IUPAC(2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol
SMILESOC[C@@H](C=C1SCCCS1)Cc1ccccc1
InChIInChI=1S/C14H18OS2/c15-11-13(9-12-5-2-1-3-6-12)10-14-16-7-4-8-17-14/h1-3,5-6,10,13,15H,4,7-9,11H2/t13-/m1/s1
InChIKeyHQCYGOOIRBGDSF-CYBMUJFWSA-N
MW266.43 g/mol
LogP3.55
Rot. Bonds4

About (2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol

(2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol (PubChem CID 10378267) has the molecular formula C14H18OS2 and a molecular weight of 266.43 g/mol. Its IUPAC name is (2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol
PubChem CID10378267
Molecular FormulaC14H18OS2
Molecular Weight266.43 g/mol
Exact Mass266.08
IUPAC Name(2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol
SMILESOC[C@@H](C=C1SCCCS1)Cc1ccccc1
InChIInChI=1S/C14H18OS2/c15-11-13(9-12-5-2-1-3-6-12)10-14-16-7-4-8-17-14/h1-3,5-6,10,13,15H,4,7-9,11H2/t13-/m1/s1
InChIKeyHQCYGOOIRBGDSF-CYBMUJFWSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-benzylhexa-4,5-dien-1-ol
CID 132552069
2-(2-phenylsulfanylethylidene)-1,3-dithiane
CID 12516771
2-cyclohexyl-3-phenylpropan-1-ol
CID 82936977
bis(5-benzyl-6-phenylhex-3-en-2-one);palladium(2+)
CID 175418386
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
2-benzyl-3-(1,3-dimethyl-4,5-diphenyltriazolidin-2-ium-2-ylidene)propan-1-ol
CID 58031059
(2S)-2-methyl-3-phenylpropanal;(2S)-2-methyl-3-phenylpropan-1-ol
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CID 174648603

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol?
The IUPAC name of (2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol (CID 10378267) is (2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol.
What is the SMILES notation for (2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol?
The canonical SMILES for (2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol is OC[C@@H](C=C1SCCCS1)Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol?
The InChIKey is HQCYGOOIRBGDSF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18OS2/c15-11-13(9-12-5-2-1-3-6-12)10-14-16-7-4-8-17-14/h1-3,5-6,10,13,15H,4,7-9,11H2/t13-/m1/s1.
What are the key properties of (2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol?
(2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol is sourced from PubChem (CID 10378267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).