1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene

C10H15ClS — CID 123139055

IUPAC1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene
SMILESCCCSC1=CC=C(Cl)CC1C
InChIInChI=1S/C10H15ClS/c1-3-6-12-10-5-4-9(11)7-8(10)2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyGDXDSYSDNKBZJO-UHFFFAOYSA-N
MW202.75 g/mol
LogP4.18
Rot. Bonds3

About 1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene

1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene (PubChem CID 123139055) has the molecular formula C10H15ClS and a molecular weight of 202.75 g/mol. Its IUPAC name is 1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene
PubChem CID123139055
Molecular FormulaC10H15ClS
Molecular Weight202.75 g/mol
Exact Mass202.06
IUPAC Name1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene
SMILESCCCSC1=CC=C(Cl)CC1C
InChIInChI=1S/C10H15ClS/c1-3-6-12-10-5-4-9(11)7-8(10)2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyGDXDSYSDNKBZJO-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.75
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Chloro-4-methylsulfanylcyclohexa-1,3-diene
CID 17937115
5-Ethylsulfanyl-6-methylcyclohexa-1,3-diene
CID 18977816
1,6-Dichloro-6-ethylsulfanylcyclohexa-1,3-diene
CID 19905838
1-Chloro-6-ethyl-3-methylsulfanylcyclohexa-1,3-diene
CID 68311920
1,3-Dichloro-5-ethylsulfanyl-5-methylcyclohexa-1,3-diene
CID 70956849
3-Chloro-1-propan-2-ylsulfanylcyclohexa-1,3-diene
CID 89343681
3-Chloro-2-ethyl-3a,7a-dihydro-1-benzothiophene
CID 117730707
7-Chloro-5-methyl-3a,7a-dihydro-1-benzothiophene
CID 118474892
2-Chloro-3-ethyl-5-propan-2-yl-2,3-dihydrothiophene
CID 123285248
1-Chloro-6-ethylsulfanyl-5-prop-1-enylcyclohexa-1,3-diene
CID 123381872
1-Chloro-4-propylsulfanylcyclohexa-1,3-diene
CID 123864545
2-Chloro-3,5-diethyl-2,3-dihydrothiophene
CID 123978444

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene (CID 123139055) is 1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene is CCCSC1=CC=C(Cl)CC1C.
What is the InChIKey of 1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene?
The InChIKey is GDXDSYSDNKBZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClS/c1-3-6-12-10-5-4-9(11)7-8(10)2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene?
1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene has a molecular weight of 202.75 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methyl-4-propylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 123139055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).