1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol

C10H16OS2 — CID 123246436

IUPAC1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol
SMILESC=CSC=C(C)C(O)C(C)=CSC
InChIInChI=1S/C10H16OS2/c1-5-13-7-9(3)10(11)8(2)6-12-4/h5-7,10-11H,1H2,2-4H3
InChIKeyVAUCVSBIWXIADQ-UHFFFAOYSA-N
MW216.37 g/mol
LogP3.39
Rot. Bonds5

About 1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol

1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol (PubChem CID 123246436) has the molecular formula C10H16OS2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol.

Molecular Properties

Compound Name1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol
PubChem CID123246436
Molecular FormulaC10H16OS2
Molecular Weight216.37 g/mol
Exact Mass216.06
IUPAC Name1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol
SMILESC=CSC=C(C)C(O)C(C)=CSC
InChIInChI=1S/C10H16OS2/c1-5-13-7-9(3)10(11)8(2)6-12-4/h5-7,10-11H,1H2,2-4H3
InChIKeyVAUCVSBIWXIADQ-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[2-(2-ethylbut-1-enylsulfanyl)ethylsulfanyl]prop-2-en-1-ol
CID 90360337
5-Tert-butylsulfanyl-2-methylpent-1-en-3-ol
CID 167041779
2-Methyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol
CID 13003572
1-(Methylsulfanyl)-1-[(prop-2-en-1-yl)sulfanyl]hex-1-en-3-ol
CID 71347897
1-(tert-Butylsulfanyl)hex-1-en-3-ol
CID 71413942
2-Methyl-5-methylsulfanylpent-1-en-3-ol
CID 79177931
(E)-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol
CID 102067962
(E)-1-methylsulfanyl-1-prop-2-enylsulfanylhex-1-en-3-ol
CID 102067963
2,4-Bis(methylsulfanylmethyl)penta-1,4-dien-3-ol
CID 102521379
2-Methyl-6-methylsulfanylhex-1-en-3-ol
CID 103089839
5-Ethylsulfanyl-2-methylpent-1-en-3-ol
CID 116504762
2-Methyl-1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol
CID 131847055

Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol?
The IUPAC name of 1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol (CID 123246436) is 1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol.
What is the SMILES notation for 1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol?
The canonical SMILES for 1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol is C=CSC=C(C)C(O)C(C)=CSC.
What is the InChIKey of 1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol?
The InChIKey is VAUCVSBIWXIADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS2/c1-5-13-7-9(3)10(11)8(2)6-12-4/h5-7,10-11H,1H2,2-4H3.
What are the key properties of 1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol?
1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol has a molecular weight of 216.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfanyl-2,4-dimethyl-5-methylsulfanylpenta-1,4-dien-3-ol is sourced from PubChem (CID 123246436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).