EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	49EN3UXQ64
EPA CompTox	DTXSID6065004

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

49EN3UXQ64

EPA CompTox

DTXSID6065004


InChI Key	VIHMZNMSEVOOPY-UHFFFAOYSA-N
Smiles	CC(C)NSc1nc2c(s1)cccc2
InChI	InChI=1S/C10H12N2S2/c1-7(2)12-14-10-11-8-5-3-4-6-9(8)13-10/h3-7,12H,1-2H3

InChI Key

VIHMZNMSEVOOPY-UHFFFAOYSA-N

Smiles

CC(C)NSc1nc2c(s1)cccc2

InChI

InChI=1S/C10H12N2S2/c1-7(2)12-14-10-11-8-5-3-4-6-9(8)13-10/h3-7,12H,1-2H3

Property Name	Value
Molecular Formula	C10H12N2S2
Molecular Weight	224.04
AlogP	3.3
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	24.92
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H12N2S2

Molecular Weight

224.04

AlogP

3.3

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

24.92

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	10220-34-5
NORMAN SUSDAT
FDA SRS	49EN3UXQ64
PubChem	82461
ChemSpider	74419.0

Resources

Reference

CAS NUMBER

10220-34-5

NORMAN SUSDAT

FDA SRS

49EN3UXQ64

PubChem

82461

ChemSpider

74419.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2-BENZOTHIAZOLESULFENAMIDE, N-(1-METHYLETHYL)-

Structure

Physicochemical Descriptors

Cross References