[(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene

C12H14OS — CID 134882097

IUPAC[(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene
SMILESC=C(C)/C=C\[S@](=O)Cc1ccccc1
InChIInChI=1S/C12H14OS/c1-11(2)8-9-14(13)10-12-6-4-3-5-7-12/h3-9H,1,10H2,2H3/b9-8-/t14-/m0/s1
InChIKeyBJWAIIDNSGGFBR-CKXPSTMWSA-N
MW206.31 g/mol
LogP3.03
Rot. Bonds4

About [(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene

[(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene (PubChem CID 134882097) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is [(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene.

Molecular Properties

Compound Name[(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene
PubChem CID134882097
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name[(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene
SMILESC=C(C)/C=C\[S@](=O)Cc1ccccc1
InChIInChI=1S/C12H14OS/c1-11(2)8-9-14(13)10-12-6-4-3-5-7-12/h3-9H,1,10H2,2H3/b9-8-/t14-/m0/s1
InChIKeyBJWAIIDNSGGFBR-CKXPSTMWSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-benzylsulfinyl-N-propylprop-2-enamide
CID 10332407
1-benzylsulfinylethenyl(triethyl)silane
CID 15200626
1-benzylsulfinylethenyl(triphenyl)silane
CID 15200628
(E)-benzyl-chloro-ethylidene-λ4-sulfane
CID 163926559
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
N-benzyl-N-[(E)-but-1-enyl]acetamide
CID 13494620
1-(benzylsulfinylmethyl)-4-(methylsulfinylmethyl)benzene
CID 139841360
methyl (E)-3-[2-[(R)-benzylsulfinyl]phenyl]prop-2-enoate
CID 134960714
[(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene
CID 143472728
2-benzylsulfinyl-3-methylbutanoic acid
CID 61303941
2-benzylsulfinylacetamide;ethane
CID 91390108
2-[(R)-benzylsulfinyl]phenol
CID 139142856

Frequently Asked Questions

What is the IUPAC name of [(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene?
The IUPAC name of [(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene (CID 134882097) is [(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene.
What is the SMILES notation for [(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene?
The canonical SMILES for [(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene is C=C(C)/C=C\[S@](=O)Cc1ccccc1.
What is the InChIKey of [(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene?
The InChIKey is BJWAIIDNSGGFBR-CKXPSTMWSA-N. The full InChI is InChI=1S/C12H14OS/c1-11(2)8-9-14(13)10-12-6-4-3-5-7-12/h3-9H,1,10H2,2H3/b9-8-/t14-/m0/s1.
What are the key properties of [(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene?
[(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene has a molecular weight of 206.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene is sourced from PubChem (CID 134882097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).