2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene

C14H19ClS2 — CID 165073785

IUPAC2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
SMILESCC(C)c1ccc(Cl)s1.CC(C)c1cccs1
InChIInChI=1S/C7H9ClS.C7H10S/c1-5(2)6-3-4-7(8)9-6;1-6(2)7-4-3-5-8-7/h3-5H,1-2H3;3-6H,1-2H3
InChIKeyTYSOHPXWIKXJNL-UHFFFAOYSA-N
MW286.89 g/mol
LogP6.40
Rot. Bonds2

About 2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene

2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene (PubChem CID 165073785) has the molecular formula C14H19ClS2 and a molecular weight of 286.89 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene.

Molecular Properties

Compound Name2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
PubChem CID165073785
Molecular FormulaC14H19ClS2
Molecular Weight286.89 g/mol
Exact Mass286.06
IUPAC Name2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
SMILESCC(C)c1ccc(Cl)s1.CC(C)c1cccs1
InChIInChI=1S/C7H9ClS.C7H10S/c1-5(2)6-3-4-7(8)9-6;1-6(2)7-4-3-5-8-7/h3-5H,1-2H3;3-6H,1-2H3
InChIKeyTYSOHPXWIKXJNL-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.89
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-ylthiophene
CID 178128598
2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene
CID 61084392
(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 43234424
(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 93029791
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
CID 79254049
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962931
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine
CID 113466404
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine
CID 79091085
2,5-di(propan-2-yl)thiophene
CID 6429946
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene?
The IUPAC name of 2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene (CID 165073785) is 2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene.
What is the SMILES notation for 2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene?
The canonical SMILES for 2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene is CC(C)c1ccc(Cl)s1.CC(C)c1cccs1.
What is the InChIKey of 2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene?
The InChIKey is TYSOHPXWIKXJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClS.C7H10S/c1-5(2)6-3-4-7(8)9-6;1-6(2)7-4-3-5-8-7/h3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of 2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene?
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene has a molecular weight of 286.89 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene is sourced from PubChem (CID 165073785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).