methyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane

C7H14S — CID 18711697

IUPACmethyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane
SMILESC=S(C)/C=C/C(C)C
InChIInChI=1S/C7H14S/c1-7(2)5-6-8(3)4/h5-7H,3H2,1-2,4H3/b6-5+
InChIKeySILGVBNBWNDHAQ-AATRIKPKSA-N
MW130.26 g/mol
LogP2.49
Rot. Bonds2

About methyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane

methyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane (PubChem CID 18711697) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is methyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane.

Molecular Properties

Compound Namemethyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane
PubChem CID18711697
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Namemethyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane
SMILESC=S(C)/C=C/C(C)C
InChIInChI=1S/C7H14S/c1-7(2)5-6-8(3)4/h5-7H,3H2,1-2,4H3/b6-5+
InChIKeySILGVBNBWNDHAQ-AATRIKPKSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane?
The IUPAC name of methyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane (CID 18711697) is methyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane.
What is the SMILES notation for methyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane?
The canonical SMILES for methyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane is C=S(C)/C=C/C(C)C.
What is the InChIKey of methyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane?
The InChIKey is SILGVBNBWNDHAQ-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14S/c1-7(2)5-6-8(3)4/h5-7H,3H2,1-2,4H3/b6-5+.
What are the key properties of methyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane?
methyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane has a molecular weight of 130.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(E)-3-methylbut-1-enyl]-methylidene-λ4-sulfane is sourced from PubChem (CID 18711697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).