chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane

C7H11ClSSi — CID 174990856

IUPACchloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane
SMILESCC1(S[SiH2]Cl)C=CC=CC1
InChIInChI=1S/C7H11ClSSi/c1-7(9-10-8)5-3-2-4-6-7/h2-5H,6,10H2,1H3
InChIKeyWNTCBBBTLMBPHT-UHFFFAOYSA-N
MW190.77 g/mol
LogP2.23
Rot. Bonds2

About chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane

chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane (PubChem CID 174990856) has the molecular formula C7H11ClSSi and a molecular weight of 190.77 g/mol. Its IUPAC name is chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane.

Molecular Properties

Compound Namechloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane
PubChem CID174990856
Molecular FormulaC7H11ClSSi
Molecular Weight190.77 g/mol
Exact Mass190.00
IUPAC Namechloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane
SMILESCC1(S[SiH2]Cl)C=CC=CC1
InChIInChI=1S/C7H11ClSSi/c1-7(9-10-8)5-3-2-4-6-7/h2-5H,6,10H2,1H3
InChIKeyWNTCBBBTLMBPHT-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.77
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 163995556
CID 163995556
(1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141138802
spiro[4.5]deca-1,3,7,9-tetraene
CID 59741992
cyclopentene;5,5-dimethylcyclohexa-1,3-diene
CID 173137560
(1-methylcyclohexa-2,4-dien-1-yl)hydrazine
CID 66545334
cyclohexa-2,4-diene-1,1-diamine;methanamine
CID 174570033
1-chlorocyclohexa-2,4-diene-1-thiol
CID 155669989
(1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene
CID 98624826
5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene
CID 163604967
hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium
CID 155672201
5-chloro-5-prop-1-enylcyclohexa-1,3-diene
CID 150718617
(1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid
CID 175786929

Frequently Asked Questions

What is the IUPAC name of chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane?
The IUPAC name of chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane (CID 174990856) is chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane.
What is the SMILES notation for chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane?
The canonical SMILES for chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane is CC1(S[SiH2]Cl)C=CC=CC1.
What is the InChIKey of chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane?
The InChIKey is WNTCBBBTLMBPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClSSi/c1-7(9-10-8)5-3-2-4-6-7/h2-5H,6,10H2,1H3.
What are the key properties of chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane?
chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane has a molecular weight of 190.77 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylsilane is sourced from PubChem (CID 174990856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).