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N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide

N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide structure

CAS No:
899396-98-6
Formula:
C11H11ClN4OS2
Chemical Name:
N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide
Synonyms:
MLS001047343;CHEMBL1405158;HMS2804O12;ZINC2329792;STK584632;AKOS005507953;N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide;MCULE-9118093110;SMR000427479;1-(5-Chloro-benzo[1,2,5]thiadiazol-4-yl)-3-isobutyryl-thiourea;899396-98-6

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N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide Basic Attributes

Molecular Weight：

314.8 g/mol

Exact Mass：

314.0062810 g/mol

Characteristics

PSA：

127 Å²

Water Solubility：

40.1 [ug/mL]

Computed Properties

Molecular Weight:314.8
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:314.0062810
Monoisotopic Mass:314.0062810
Topological Polar Surface Area:127
Heavy Atom Count:19
Complexity:369
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide

Basic Attributes
Characteristics
Computed Properties

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