2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane

C14H18ClNS — CID 143085374

IUPAC2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane
SMILESCC.CC.N#CCc1csc2ccc(Cl)cc12
InChIInChI=1S/C10H6ClNS.2C2H6/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;2*1-2/h1-2,5-6H,3H2;2*1-2H3
InChIKeyRVJVMQCOMRTPGO-UHFFFAOYSA-N
MW267.82 g/mol
LogP5.67
Rot. Bonds1

About 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane

2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane (PubChem CID 143085374) has the molecular formula C14H18ClNS and a molecular weight of 267.82 g/mol. Its IUPAC name is 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane.

Molecular Properties

Compound Name2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane
PubChem CID143085374
Molecular FormulaC14H18ClNS
Molecular Weight267.82 g/mol
Exact Mass267.08
IUPAC Name2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane
SMILESCC.CC.N#CCc1csc2ccc(Cl)cc12
InChIInChI=1S/C10H6ClNS.2C2H6/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;2*1-2/h1-2,5-6H,3H2;2*1-2H3
InChIKeyRVJVMQCOMRTPGO-UHFFFAOYSA-N
XLogP5.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.82
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-1-benzothiophen-3-yl)acetonitrile
CID 738617
2-(5-ethyl-1-benzothiophen-3-yl)acetonitrile
CID 15816641
3-butyl-5-chloro-1-benzothiophene
CID 67585304
(5-chloro-1-benzothiophen-3-yl)methanol
CID 2776136
5-chloro-3-(2,2-dimethylpropyl)-1-benzothiophene
CID 21014712
5-chloro-3-(2-methylpropyl)-1-benzothiophene
CID 20826796
2-(5,6-dimethyl-1-benzothiophen-3-yl)acetonitrile
CID 131053362
CID 25212690
CID 25212690
ethyl 3-(5-chloro-1-benzothiophen-3-yl)-2-cyanopropanoate
CID 3364637
2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide
CID 67581521
(2E)-2-[(5-chloro-1-benzothiophen-3-yl)methoxyimino]propan-1-amine
CID 58684577
(5-chloro-1-benzothiophen-3-yl)methylcarbamic acid
CID 23072664

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane?
The IUPAC name of 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane (CID 143085374) is 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane.
What is the SMILES notation for 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane?
The canonical SMILES for 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane is CC.CC.N#CCc1csc2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane?
The InChIKey is RVJVMQCOMRTPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNS.2C2H6/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;2*1-2/h1-2,5-6H,3H2;2*1-2H3.
What are the key properties of 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane?
2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane has a molecular weight of 267.82 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane is sourced from PubChem (CID 143085374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).