3-chloro-2-(2-nitrosoethyl)thiophene

C6H6ClNOS — CID 91469885

IUPAC3-chloro-2-(2-nitrosoethyl)thiophene
SMILESO=NCCc1sccc1Cl
InChIInChI=1S/C6H6ClNOS/c7-5-2-4-10-6(5)1-3-8-9/h2,4H,1,3H2
InChIKeyDKOVWCBRXJUYAD-UHFFFAOYSA-N
MW175.64 g/mol
LogP2.71
Rot. Bonds3

About 3-chloro-2-(2-nitrosoethyl)thiophene

3-chloro-2-(2-nitrosoethyl)thiophene (PubChem CID 91469885) has the molecular formula C6H6ClNOS and a molecular weight of 175.64 g/mol. Its IUPAC name is 3-chloro-2-(2-nitrosoethyl)thiophene.

Molecular Properties

Compound Name3-chloro-2-(2-nitrosoethyl)thiophene
PubChem CID91469885
Molecular FormulaC6H6ClNOS
Molecular Weight175.64 g/mol
Exact Mass174.99
IUPAC Name3-chloro-2-(2-nitrosoethyl)thiophene
SMILESO=NCCc1sccc1Cl
InChIInChI=1S/C6H6ClNOS/c7-5-2-4-10-6(5)1-3-8-9/h2,4H,1,3H2
InChIKeyDKOVWCBRXJUYAD-UHFFFAOYSA-N
XLogP2.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-Chlorothiophen-2-yl)-2-fluoroethan-1-amine
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2-(3-Chlorothiophen-2-yl)-2,2-difluoroethan-1-amine
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4-Chloro-2-(2-nitroethenyl)thiophene
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2-(2-Nitrosoethyl)thiophene
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2-(4-Chlorothiophen-2-yl)ethanamine
CID 59819997
CID 67005988
CID 67005988
3-chloro-2-((E)-nitropropenyl)thiophene
CID 68498243
3-Chloro-2-(3-nitroprop-1-enyl)thiophene
CID 68498244
2-(3-Chlorothiophen-2-yl)ethan-1-amine
CID 80531897
3-Chloro-2-(isocyanomethyl)thiophene
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-nitrosoethyl)thiophene?
The IUPAC name of 3-chloro-2-(2-nitrosoethyl)thiophene (CID 91469885) is 3-chloro-2-(2-nitrosoethyl)thiophene.
What is the SMILES notation for 3-chloro-2-(2-nitrosoethyl)thiophene?
The canonical SMILES for 3-chloro-2-(2-nitrosoethyl)thiophene is O=NCCc1sccc1Cl.
What is the InChIKey of 3-chloro-2-(2-nitrosoethyl)thiophene?
The InChIKey is DKOVWCBRXJUYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNOS/c7-5-2-4-10-6(5)1-3-8-9/h2,4H,1,3H2.
What are the key properties of 3-chloro-2-(2-nitrosoethyl)thiophene?
3-chloro-2-(2-nitrosoethyl)thiophene has a molecular weight of 175.64 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-nitrosoethyl)thiophene is sourced from PubChem (CID 91469885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).