2-amino-2H-chromene-3-carbothioamide

C10H10N2OS — CID 154220256

IUPAC2-amino-2H-chromene-3-carbothioamide
SMILESNC(=S)C1=Cc2ccccc2OC1N
InChIInChI=1S/C10H10N2OS/c11-9-7(10(12)14)5-6-3-1-2-4-8(6)13-9/h1-5,9H,11H2,(H2,12,14)
InChIKeyLWZHDUKKGHPRMT-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.03
Rot. Bonds1

About 2-amino-2H-chromene-3-carbothioamide

2-amino-2H-chromene-3-carbothioamide (PubChem CID 154220256) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-amino-2H-chromene-3-carbothioamide.

Molecular Properties

Compound Name2-amino-2H-chromene-3-carbothioamide
PubChem CID154220256
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-amino-2H-chromene-3-carbothioamide
SMILESNC(=S)C1=Cc2ccccc2OC1N
InChIInChI=1S/C10H10N2OS/c11-9-7(10(12)14)5-6-3-1-2-4-8(6)13-9/h1-5,9H,11H2,(H2,12,14)
InChIKeyLWZHDUKKGHPRMT-UHFFFAOYSA-N
XLogP1.03
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methyl-2H-chromene-3-carboxylic acid
CID 91304303
2-fluoro-2H-chromen-3-ol
CID 174296888
N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide
CID 126840431
3-[(E)-prop-1-enyl]-2H-chromen-2-ol
CID 146369233
2-[4-(aminomethyl)phenyl]-2H-chromene-3-carboxylic acid
CID 152562696
2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol
CID 18755186
2H-chromene-2-thiol
CID 154323304
2-(3,4-dibromophenyl)-2H-chromene-3-carboxylic acid
CID 44610966
2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid
CID 44611197
(2R)-2-methyl-2H-chromene-3-carbaldehyde
CID 907604
(2S)-2-methyl-2H-chromene-3-carbaldehyde
CID 907603
3-benzyl-2-ethyl-2H-chromene
CID 13045520

Frequently Asked Questions

What is the IUPAC name of 2-amino-2H-chromene-3-carbothioamide?
The IUPAC name of 2-amino-2H-chromene-3-carbothioamide (CID 154220256) is 2-amino-2H-chromene-3-carbothioamide.
What is the SMILES notation for 2-amino-2H-chromene-3-carbothioamide?
The canonical SMILES for 2-amino-2H-chromene-3-carbothioamide is NC(=S)C1=Cc2ccccc2OC1N.
What is the InChIKey of 2-amino-2H-chromene-3-carbothioamide?
The InChIKey is LWZHDUKKGHPRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-9-7(10(12)14)5-6-3-1-2-4-8(6)13-9/h1-5,9H,11H2,(H2,12,14).
What are the key properties of 2-amino-2H-chromene-3-carbothioamide?
2-amino-2H-chromene-3-carbothioamide has a molecular weight of 206.27 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2H-chromene-3-carbothioamide is sourced from PubChem (CID 154220256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).