[(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene

C9H8Cl2S — CID 6376519

IUPAC[(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene
SMILESCl/C=C(\Cl)CSc1ccccc1
InChIInChI=1S/C9H8Cl2S/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-6H,7H2/b8-6-
InChIKeyRVUOHKSINRNDNY-VURMDHGXSA-N
MW219.14 g/mol
LogP4.10
Rot. Bonds3

About [(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene

[(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene (PubChem CID 6376519) has the molecular formula C9H8Cl2S and a molecular weight of 219.14 g/mol. Its IUPAC name is [(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene
PubChem CID6376519
Molecular FormulaC9H8Cl2S
Molecular Weight219.14 g/mol
Exact Mass217.97
IUPAC Name[(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene
SMILESCl/C=C(\Cl)CSc1ccccc1
InChIInChI=1S/C9H8Cl2S/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-6H,7H2/b8-6-
InChIKeyRVUOHKSINRNDNY-VURMDHGXSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.14
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(Z)-3-chloroprop-2-enyl]sulfanylbenzene
CID 6092909
[(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene
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CID 162412032
CID 162412032
potassium 2-phenylsulfanylacetate
CID 23690750
N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide
CID 115636458
2-phenylsulfanylacetohydrazide
CID 7037418
N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439
[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 91738284
prop-2-enyl 2-phenylsulfanylacetate
CID 12778583
N-[[4-(chloromethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 107233249
(4-chlorophenyl)methyl 2-phenylsulfanylacetate
CID 533039
CID 50933104
CID 50933104

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene?
The IUPAC name of [(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene (CID 6376519) is [(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene.
What is the SMILES notation for [(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene?
The canonical SMILES for [(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene is Cl/C=C(\Cl)CSc1ccccc1.
What is the InChIKey of [(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene?
The InChIKey is RVUOHKSINRNDNY-VURMDHGXSA-N. The full InChI is InChI=1S/C9H8Cl2S/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-6H,7H2/b8-6-.
What are the key properties of [(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene?
[(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene has a molecular weight of 219.14 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,3-dichloroprop-2-enyl]sulfanylbenzene is sourced from PubChem (CID 6376519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).