1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene

C14H10ClNO2S — CID 134935038

IUPAC1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1S/C(=C/Cl)c1ccccc1
InChIInChI=1S/C14H10ClNO2S/c15-10-14(11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)16(17)18/h1-10H/b14-10+
InChIKeyCLGXWBLHCSCUMS-GXDHUFHOSA-N
MW291.76 g/mol
LogP4.92
Rot. Bonds4

About 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene

1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene (PubChem CID 134935038) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene.

Molecular Properties

Compound Name1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene
PubChem CID134935038
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Name1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1S/C(=C/Cl)c1ccccc1
InChIInChI=1S/C14H10ClNO2S/c15-10-14(11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)16(17)18/h1-10H/b14-10+
InChIKeyCLGXWBLHCSCUMS-GXDHUFHOSA-N
XLogP4.92
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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1-(difluoromethylsulfanyl)-2-nitrobenzene
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[(E)-2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenylprop-1-enyl] 4-methylbenzoate
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2-[(2-nitrophenyl)sulfanylamino]pent-4-ynoic acid
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(2R)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid
CID 92860184
(E)-2,2,2-trichloro-N-(2-nitrophenyl)sulfanylethanimine
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4-(2-nitrophenyl)sulfanylnaphthalen-1-ol
CID 23239241
1-chloro-3-(2-nitrophenyl)sulfanylpropan-2-ol
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(2S)-2-amino-3-(2-nitrophenyl)sulfanylpropanoic acid
CID 13375100

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene?
The IUPAC name of 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene (CID 134935038) is 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene.
What is the SMILES notation for 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene?
The canonical SMILES for 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene is O=[N+]([O-])c1ccccc1S/C(=C/Cl)c1ccccc1.
What is the InChIKey of 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene?
The InChIKey is CLGXWBLHCSCUMS-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c15-10-14(11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)16(17)18/h1-10H/b14-10+.
What are the key properties of 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene?
1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene has a molecular weight of 291.76 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-nitrobenzene is sourced from PubChem (CID 134935038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).