(6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol

C9H12OS — CID 163637562

IUPAC(6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
SMILESCCS/C=C1\C=CC=CC1O
InChIInChI=1S/C9H12OS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-7,9-10H,2H2,1H3/b8-7+
InChIKeyIBMSJDQNAUUUMA-BQYQJAHWSA-N
MW168.26 g/mol
LogP2.11
Rot. Bonds2

About (6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol

(6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol (PubChem CID 163637562) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is (6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
PubChem CID163637562
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name(6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
SMILESCCS/C=C1\C=CC=CC1O
InChIInChI=1S/C9H12OS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-7,9-10H,2H2,1H3/b8-7+
InChIKeyIBMSJDQNAUUUMA-BQYQJAHWSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-2,4-dien-1-ol
CID 173140122
(6R)-6-hydroxycyclohexa-2,4-dien-1-one
CID 122227918
1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine
CID 15113053
5-methylidene-6-propylcyclohexa-1,3-diene
CID 163513277
6-ethenylidenecyclohexa-2,4-dien-1-ol
CID 154163328
5-ethylidene-6-methylcyclohexa-1,3-diene
CID 123649762
(6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium
CID 150471654
9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59075885
3-(4-methylphenyl)cyclohepta-2,4,6-triene-1,2-diol
CID 146179006
bis(6-ethylidenecyclohexa-2,4-diene-1-carboxylic acid);hexanedioic acid
CID 70442974
(2-ethyl-7aH-indol-1-ium-1-yl)-methylborinic acid
CID 156688530
(NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine
CID 170152478

Frequently Asked Questions

What is the IUPAC name of (6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
The IUPAC name of (6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol (CID 163637562) is (6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for (6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol is CCS/C=C1\C=CC=CC1O.
What is the InChIKey of (6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
The InChIKey is IBMSJDQNAUUUMA-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H12OS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-7,9-10H,2H2,1H3/b8-7+.
What are the key properties of (6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
(6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol has a molecular weight of 168.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 163637562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).