4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol

C19H30O3S2 — CID 100947724

IUPAC4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol
SMILESCCOC(C)OCCCC(O)C1(Sc2ccccc2)CCSCC1
InChIInChI=1S/C19H30O3S2/c1-3-21-16(2)22-13-7-10-18(20)19(11-14-23-15-12-19)24-17-8-5-4-6-9-17/h4-6,8-9,16,18,20H,3,7,10-15H2,1-2H3
InChIKeyGUKXMHPRESHPIW-UHFFFAOYSA-N
MW370.58 g/mol
LogP4.58
Rot. Bonds10

About 4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol

4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol (PubChem CID 100947724) has the molecular formula C19H30O3S2 and a molecular weight of 370.58 g/mol. Its IUPAC name is 4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol
PubChem CID100947724
Molecular FormulaC19H30O3S2
Molecular Weight370.58 g/mol
Exact Mass370.16
IUPAC Name4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol
SMILESCCOC(C)OCCCC(O)C1(Sc2ccccc2)CCSCC1
InChIInChI=1S/C19H30O3S2/c1-3-21-16(2)22-13-7-10-18(20)19(11-14-23-15-12-19)24-17-8-5-4-6-9-17/h4-6,8-9,16,18,20H,3,7,10-15H2,1-2H3
InChIKeyGUKXMHPRESHPIW-UHFFFAOYSA-N
XLogP4.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol
CID 15456612
5-(1-ethoxyethoxy)pentyl-triphenylphosphanium
CID 71386152
1,1-diethoxyethane;2-phenylethylbenzene
CID 66689331
1-ethoxyethanol;toluene
CID 19827578
2-(2,2-diethoxyethyldisulfanyl)-1,1-diethoxyethane;bis((phenyldisulfanyl)benzene);hydrate
CID 174825274
1,1-diethoxyethane;stannane
CID 87529398
1-ethoxy-1-phenylsulfanylpropan-2-one
CID 12622843
(1-ethylcyclopropyl)sulfanylbenzene
CID 12836417
1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol
CID 114992024
1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine
CID 23224540
S-phenyl (2S,3S)-3-hydroxy-2-methyl-3-(1-phenylsulfanylcyclopentyl)propanethioate
CID 11111514
benzaldehyde;1,1-diethoxyethane;2,2-dimethylpropane-1,1-diol
CID 88673769

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol?
The IUPAC name of 4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol (CID 100947724) is 4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol.
What is the SMILES notation for 4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol?
The canonical SMILES for 4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol is CCOC(C)OCCCC(O)C1(Sc2ccccc2)CCSCC1.
What is the InChIKey of 4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol?
The InChIKey is GUKXMHPRESHPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3S2/c1-3-21-16(2)22-13-7-10-18(20)19(11-14-23-15-12-19)24-17-8-5-4-6-9-17/h4-6,8-9,16,18,20H,3,7,10-15H2,1-2H3.
What are the key properties of 4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol?
4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol has a molecular weight of 370.58 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethoxy)-1-(4-phenylsulfanylthian-4-yl)butan-1-ol is sourced from PubChem (CID 100947724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).