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2-[bis(2-chloroethyl)aminomethyl]-1,1-dioxo-1,2-benzothiazol-3-one

2-[bis(2-chloroethyl)aminomethyl]-1,1-dioxo-1,2-benzothiazol-3-one structure

CAS No:
88618-36-4
Formula:
C12H14Cl2N2O3S
Chemical Name:
2-[bis(2-chloroethyl)aminomethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Synonyms:
88618-36-4;NSC53678;ACMC-20lc01;DTXSID60287956;ZINC1684611;NSC-53678;1,2-Benzisothiazol-3(2H)-one,2-[[bis(2-chloroethyl)amino]methyl]-, 1,1-dioxide;2-{[Bis(2-chloroethyl)amino]methyl}-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione

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2-[bis(2-chloroethyl)aminomethyl]-1,1-dioxo-1,2-benzothiazol-3-one Basic Attributes

Molecular Weight：

337.2 g/mol

Exact Mass：

336.0102189 g/mol

NSC Number：

53678

DSSTox ID：

DTXSID60287956

Characteristics

PSA：

66.1 Å²

Computed Properties

Molecular Weight:337.2
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:336.0102189
Monoisotopic Mass:336.0102189
Topological Polar Surface Area:66.1
Heavy Atom Count:20
Complexity:446
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[bis(2-chloroethyl)aminomethyl]-1,1-dioxo-1,2-benzothiazol-3-one

Basic Attributes
Characteristics
Computed Properties

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