N-(2-ethoxyphenyl)methanesulfinothioamide

C9H13NOS2 — CID 146252232

IUPACN-(2-ethoxyphenyl)methanesulfinothioamide
SMILESCCOc1ccccc1NS(C)=S
InChIInChI=1S/C9H13NOS2/c1-3-11-9-7-5-4-6-8(9)10-13(2)12/h4-7,10H,3H2,1-2H3
InChIKeyVYPILDRSWXBYJR-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.12
Rot. Bonds4

About N-(2-ethoxyphenyl)methanesulfinothioamide

N-(2-ethoxyphenyl)methanesulfinothioamide (PubChem CID 146252232) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)methanesulfinothioamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)methanesulfinothioamide
PubChem CID146252232
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC NameN-(2-ethoxyphenyl)methanesulfinothioamide
SMILESCCOc1ccccc1NS(C)=S
InChIInChI=1S/C9H13NOS2/c1-3-11-9-7-5-4-6-8(9)10-13(2)12/h4-7,10H,3H2,1-2H3
InChIKeyVYPILDRSWXBYJR-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[4-(2-ethoxyanilino)anilino]phenol
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1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea
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CID 174193763

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)methanesulfinothioamide?
The IUPAC name of N-(2-ethoxyphenyl)methanesulfinothioamide (CID 146252232) is N-(2-ethoxyphenyl)methanesulfinothioamide.
What is the SMILES notation for N-(2-ethoxyphenyl)methanesulfinothioamide?
The canonical SMILES for N-(2-ethoxyphenyl)methanesulfinothioamide is CCOc1ccccc1NS(C)=S.
What is the InChIKey of N-(2-ethoxyphenyl)methanesulfinothioamide?
The InChIKey is VYPILDRSWXBYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-3-11-9-7-5-4-6-8(9)10-13(2)12/h4-7,10H,3H2,1-2H3.
What are the key properties of N-(2-ethoxyphenyl)methanesulfinothioamide?
N-(2-ethoxyphenyl)methanesulfinothioamide has a molecular weight of 215.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)methanesulfinothioamide is sourced from PubChem (CID 146252232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).