(2R,3S)-2-phenylsulfanylhex-5-en-3-ol

C12H16OS — CID 10679903

IUPAC(2R,3S)-2-phenylsulfanylhex-5-en-3-ol
SMILESC=CC[C@H](O)[C@@H](C)Sc1ccccc1
InChIInChI=1S/C12H16OS/c1-3-7-12(13)10(2)14-11-8-5-4-6-9-11/h3-6,8-10,12-13H,1,7H2,2H3/t10-,12+/m1/s1
InChIKeyDLVWPECSYGYRNU-PWSUYJOCSA-N
MW208.33 g/mol
LogP3.10
Rot. Bonds5

About (2R,3S)-2-phenylsulfanylhex-5-en-3-ol

(2R,3S)-2-phenylsulfanylhex-5-en-3-ol (PubChem CID 10679903) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is (2R,3S)-2-phenylsulfanylhex-5-en-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-phenylsulfanylhex-5-en-3-ol
PubChem CID10679903
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name(2R,3S)-2-phenylsulfanylhex-5-en-3-ol
SMILESC=CC[C@H](O)[C@@H](C)Sc1ccccc1
InChIInChI=1S/C12H16OS/c1-3-7-12(13)10(2)14-11-8-5-4-6-9-11/h3-6,8-10,12-13H,1,7H2,2H3/t10-,12+/m1/s1
InChIKeyDLVWPECSYGYRNU-PWSUYJOCSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol
CID 14787942
(1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol
CID 14787941
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
3-hydroxy-4-phenylsulfanylpentanoic acid
CID 142656937
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
[(5E)-hepta-1,5-dien-4-yl]sulfanylbenzene
CID 10632029
4-phenylsulfanylhept-6-en-2-one
CID 13093427
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
bromobenzene;pent-4-en-2-ol
CID 145155051
1-fluoropropan-2-ylsulfanylbenzene
CID 15563457
[(2S,3S)-3-hydroxyhex-5-en-2-yl] benzoate
CID 134930488

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-phenylsulfanylhex-5-en-3-ol?
The IUPAC name of (2R,3S)-2-phenylsulfanylhex-5-en-3-ol (CID 10679903) is (2R,3S)-2-phenylsulfanylhex-5-en-3-ol.
What is the SMILES notation for (2R,3S)-2-phenylsulfanylhex-5-en-3-ol?
The canonical SMILES for (2R,3S)-2-phenylsulfanylhex-5-en-3-ol is C=CC[C@H](O)[C@@H](C)Sc1ccccc1.
What is the InChIKey of (2R,3S)-2-phenylsulfanylhex-5-en-3-ol?
The InChIKey is DLVWPECSYGYRNU-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H16OS/c1-3-7-12(13)10(2)14-11-8-5-4-6-9-11/h3-6,8-10,12-13H,1,7H2,2H3/t10-,12+/m1/s1.
What are the key properties of (2R,3S)-2-phenylsulfanylhex-5-en-3-ol?
(2R,3S)-2-phenylsulfanylhex-5-en-3-ol has a molecular weight of 208.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-phenylsulfanylhex-5-en-3-ol is sourced from PubChem (CID 10679903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).