Name: Name:5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE-4(3H)-THIONE
Brand: Angene
SKU: AG00C8UY
Rating: 90 (10 reviews)

5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE-4(3H)-THIONE

CAS No.:

40277-39-2

Catalog Number:

AG00C8UY

Molecular Formula:

C10H10N2S2

Molecular Weight:

222.3298

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Purity

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Product Description

Catalog Number:

AG00C8UY

Chemical Name:

5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE-4(3H)-THIONE

CAS Number:

40277-39-2

Molecular Formula:

C10H10N2S2

Molecular Weight:

222.3298

MDL Number:

MFCD00573348

IUPAC Name:

5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-4-thione

InChI:

InChI=1S/C10H10N2S2/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h5H,1-4H2,(H,11,12,13)

InChI Key:

KUZMWCUBXLBJQY-UHFFFAOYSA-N

SMILES:

S=c1[nH]cnc2c1c1CCCCc1s2

Properties

Complexity:

290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.029g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.324g/mol

Monoisotopic Mass:

222.029g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties