chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane

C19H23ClS — CID 130246551

IUPACchloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane
SMILESC=C(c1ccccc1)c1ccc(CCCS(C)(C)Cl)cc1
InChIInChI=1S/C19H23ClS/c1-16(18-9-5-4-6-10-18)19-13-11-17(12-14-19)8-7-15-21(2,3)20/h4-6,9-14H,1,7-8,15H2,2-3H3
InChIKeyUTIVQECHHSCRJO-UHFFFAOYSA-N
MW318.91 g/mol
LogP5.90
Rot. Bonds6

About chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane

chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane (PubChem CID 130246551) has the molecular formula C19H23ClS and a molecular weight of 318.91 g/mol. Its IUPAC name is chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane.

Molecular Properties

Compound Namechloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane
PubChem CID130246551
Molecular FormulaC19H23ClS
Molecular Weight318.91 g/mol
Exact Mass318.12
IUPAC Namechloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane
SMILESC=C(c1ccccc1)c1ccc(CCCS(C)(C)Cl)cc1
InChIInChI=1S/C19H23ClS/c1-16(18-9-5-4-6-10-18)19-13-11-17(12-14-19)8-7-15-21(2,3)20/h4-6,9-14H,1,7-8,15H2,2-3H3
InChIKeyUTIVQECHHSCRJO-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.91
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(chloromethyl)-4-(1-phenylethenyl)benzene
CID 68708989
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine
CID 59729859
4-[1-(4-butylphenyl)ethenyl]benzaldehyde
CID 87673195
ethoxyethane;1-phenylethenylbenzene
CID 69353422
1,4-bis(3-phenylpropyl)benzene
CID 59467322
chloro-[4-(1-phenylethenyl)phenyl]phosphane
CID 167036025
4-(1-phenylethenyl)benzonitrile
CID 11977035
1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 122396068
phenol;1-phenylethenylbenzene
CID 174309625
1-(2-phenylprop-2-enyl)-4-propylbenzene
CID 57162599

Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane?
The IUPAC name of chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane (CID 130246551) is chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane.
What is the SMILES notation for chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane?
The canonical SMILES for chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane is C=C(c1ccccc1)c1ccc(CCCS(C)(C)Cl)cc1.
What is the InChIKey of chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane?
The InChIKey is UTIVQECHHSCRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClS/c1-16(18-9-5-4-6-10-18)19-13-11-17(12-14-19)8-7-15-21(2,3)20/h4-6,9-14H,1,7-8,15H2,2-3H3.
What are the key properties of chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane?
chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane has a molecular weight of 318.91 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane is sourced from PubChem (CID 130246551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).