[(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane

C32H34OSSn — CID 177405788

IUPAC[(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane
SMILESCCCCC/C=C(/S(=O)c1ccc(C)cc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H19OS.3C6H5.Sn/c1-3-4-5-6-7-12-16(15)14-10-8-13(2)9-11-14;3*1-2-4-6-5-3-1;/h7-11H,3-6H2,1-2H3;3*1-5H;
InChIKeyATHQJQQYCMQHQP-UHFFFAOYSA-N
MW585.40 g/mol
LogP6.28
Rot. Bonds10

About [(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane

[(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane (PubChem CID 177405788) has the molecular formula C32H34OSSn and a molecular weight of 585.40 g/mol. Its IUPAC name is [(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane.

Molecular Properties

Compound Name[(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane
PubChem CID177405788
Molecular FormulaC32H34OSSn
Molecular Weight585.40 g/mol
Exact Mass586.14
IUPAC Name[(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane
SMILESCCCCC/C=C(/S(=O)c1ccc(C)cc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H19OS.3C6H5.Sn/c1-3-4-5-6-7-12-16(15)14-10-8-13(2)9-11-14;3*1-2-4-6-5-3-1;/h7-11H,3-6H2,1-2H3;3*1-5H;
InChIKeyATHQJQQYCMQHQP-UHFFFAOYSA-N
XLogP6.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.40
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane
CID 10577652
1-[(E)-1-bromohex-1-enyl]sulfinyl-4-methylbenzene
CID 177431427
(Z,1S)-2-(4-methylphenyl)sulfinyl-1-phenylhept-2-en-1-ol
CID 101210456
(E)-3-methyl-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-one
CID 51031978
1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene
CID 134875983
1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
CID 10585341
1-[(S)-[(Z)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
CID 10561226
tert-butyl-dimethyl-[(E)-4-[(S)-(4-methylphenyl)sulfinyl]-4-tributylstannylbut-3-enoxy]silane
CID 25139411
(Z)-2-triphenylstannylhept-2-enal
CID 10600078
1-methyl-4-[(R)-[(Z,2S)-2-phenylhex-3-en-3-yl]sulfinyl]benzene
CID 10780444
1-methyl-4-[(E,2S)-2-phenylhex-3-en-3-yl]sulfinylbenzene
CID 14815272
(Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol
CID 102376307

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane?
The IUPAC name of [(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane (CID 177405788) is [(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane.
What is the SMILES notation for [(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane?
The canonical SMILES for [(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane is CCCCC/C=C(/S(=O)c1ccc(C)cc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane?
The InChIKey is ATHQJQQYCMQHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19OS.3C6H5.Sn/c1-3-4-5-6-7-12-16(15)14-10-8-13(2)9-11-14;3*1-2-4-6-5-3-1;/h7-11H,3-6H2,1-2H3;3*1-5H;.
What are the key properties of [(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane?
[(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane has a molecular weight of 585.40 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane is sourced from PubChem (CID 177405788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).