1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene

C14H12ClIS — CID 103289356

IUPAC1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene
SMILESClc1ccccc1CSCc1ccc(I)cc1
InChIInChI=1S/C14H12ClIS/c15-14-4-2-1-3-12(14)10-17-9-11-5-7-13(16)8-6-11/h1-8H,9-10H2
InChIKeyHRYAHKOUPIPXCX-UHFFFAOYSA-N
MW374.67 g/mol
LogP5.38
Rot. Bonds4

About 1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene

1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene (PubChem CID 103289356) has the molecular formula C14H12ClIS and a molecular weight of 374.67 g/mol. Its IUPAC name is 1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene
PubChem CID103289356
Molecular FormulaC14H12ClIS
Molecular Weight374.67 g/mol
Exact Mass373.94
IUPAC Name1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene
SMILESClc1ccccc1CSCc1ccc(I)cc1
InChIInChI=1S/C14H12ClIS/c15-14-4-2-1-3-12(14)10-17-9-11-5-7-13(16)8-6-11/h1-8H,9-10H2
InChIKeyHRYAHKOUPIPXCX-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide
CID 103290660
1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene
CID 103599900
2-[(4-chlorophenyl)methylsulfanylmethyl]aniline
CID 115597560
3-[5-[(2-chlorophenyl)methylsulfanylmethyl]-2-fluorophenyl]prop-2-yn-1-ol
CID 103289440
2-[2-[(4-chlorophenyl)methylsulfanylmethyl]phenyl]acetic acid
CID 114790026
2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide
CID 94863296
N-[(2-chlorophenyl)methyl]-4-iodoaniline
CID 28878735
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
4-[(2-chlorophenyl)methylsulfanylmethyl]pyridine-2-carbonitrile
CID 103825985
2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide
CID 103288606
1-chloro-2-(methylsulfanylmethyl)benzene;ethane
CID 162765163
4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine
CID 103289825

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene?
The IUPAC name of 1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene (CID 103289356) is 1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene.
What is the SMILES notation for 1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene?
The canonical SMILES for 1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene is Clc1ccccc1CSCc1ccc(I)cc1.
What is the InChIKey of 1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene?
The InChIKey is HRYAHKOUPIPXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIS/c15-14-4-2-1-3-12(14)10-17-9-11-5-7-13(16)8-6-11/h1-8H,9-10H2.
What are the key properties of 1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene?
1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene has a molecular weight of 374.67 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene is sourced from PubChem (CID 103289356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).