ethylsulfanylbenzene;zinc

C8H9SZn- — CID 163508220

IUPACethylsulfanylbenzene;zinc
SMILESCCSc1cc[c-]cc1.[Zn]
InChIInChI=1S/C8H9S.Zn/c1-2-9-8-6-4-3-5-7-8;/h4-7H,2H2,1H3;/q-1;
InChIKeyNTDIUUWPHOSTKQ-UHFFFAOYSA-N
MW202.62 g/mol
LogP2.60
Rot. Bonds2

About ethylsulfanylbenzene;zinc

ethylsulfanylbenzene;zinc (PubChem CID 163508220) has the molecular formula C8H9SZn- and a molecular weight of 202.62 g/mol. Its IUPAC name is ethylsulfanylbenzene;zinc.

Molecular Properties

Compound Nameethylsulfanylbenzene;zinc
PubChem CID163508220
Molecular FormulaC8H9SZn-
Molecular Weight202.62 g/mol
Exact Mass200.97
IUPAC Nameethylsulfanylbenzene;zinc
SMILESCCSc1cc[c-]cc1.[Zn]
InChIInChI=1S/C8H9S.Zn/c1-2-9-8-6-4-3-5-7-8;/h4-7H,2H2,1H3;/q-1;
InChIKeyNTDIUUWPHOSTKQ-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethylsulfanylbenzene;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-ethylsulfanylbenzene
CID 5324154
bromozinc(1+);hexylsulfanylbenzene
CID 146001940
ethylsulfanylbenzene;dihydrochloride
CID 18353835
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
(4-ethylsulfanylphenyl)methanamine
CID 12842467
2-chloro-4-ethylsulfanyl-1-fluorobenzene
CID 55220710
bromozinc(1+);methylsulfanylbenzene
CID 4229822
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
CID 69077180
CID 69077180
2,3-diamino-3-(4-ethylsulfanylphenyl)propan-1-ol
CID 116942412

Frequently Asked Questions

What is the IUPAC name of ethylsulfanylbenzene;zinc?
The IUPAC name of ethylsulfanylbenzene;zinc (CID 163508220) is ethylsulfanylbenzene;zinc.
What is the SMILES notation for ethylsulfanylbenzene;zinc?
The canonical SMILES for ethylsulfanylbenzene;zinc is CCSc1cc[c-]cc1.[Zn].
What is the InChIKey of ethylsulfanylbenzene;zinc?
The InChIKey is NTDIUUWPHOSTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9S.Zn/c1-2-9-8-6-4-3-5-7-8;/h4-7H,2H2,1H3;/q-1;.
What are the key properties of ethylsulfanylbenzene;zinc?
ethylsulfanylbenzene;zinc has a molecular weight of 202.62 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylbenzene;zinc is sourced from PubChem (CID 163508220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).