(3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene

C7H12S — CID 88850042

IUPAC(3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene
SMILESC=C(SC)/C(C)=C\C
InChIInChI=1S/C7H12S/c1-5-6(2)7(3)8-4/h5H,3H2,1-2,4H3/b6-5-
InChIKeyJTHYZJGBBNYVRZ-WAYWQWQTSA-N
MW128.24 g/mol
LogP2.83
Rot. Bonds2

About (3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene

(3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene (PubChem CID 88850042) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is (3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene.

Molecular Properties

Compound Name(3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene
PubChem CID88850042
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name(3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene
SMILESC=C(SC)/C(C)=C\C
InChIInChI=1S/C7H12S/c1-5-6(2)7(3)8-4/h5H,3H2,1-2,4H3/b6-5-
InChIKeyJTHYZJGBBNYVRZ-WAYWQWQTSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene?
The IUPAC name of (3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene (CID 88850042) is (3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene.
What is the SMILES notation for (3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene?
The canonical SMILES for (3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene is C=C(SC)/C(C)=C\C.
What is the InChIKey of (3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene?
The InChIKey is JTHYZJGBBNYVRZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H12S/c1-5-6(2)7(3)8-4/h5H,3H2,1-2,4H3/b6-5-.
What are the key properties of (3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene?
(3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene has a molecular weight of 128.24 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene is sourced from PubChem (CID 88850042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).