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95-30-7 | Carbamodithioic acid, diethyl-, 2-benzothiazolyl ester
CAS No: 95-30-7 Catalog No: AG00IIOH MDL No:MFCD00059887
Product Description
Catalog Number:
AG00IIOH
Chemical Name:
Carbamodithioic acid, diethyl-, 2-benzothiazolyl ester
CAS Number:
95-30-7
Molecular Formula:
C12H14N2S3
Molecular Weight:
282.4480
MDL Number:
MFCD00059887
IUPAC Name:
1,3-benzothiazol-2-yl N,N-diethylcarbamodithioate
InChI:
InChI=1S/C12H14N2S3/c1-3-14(4-2)12(15)17-11-13-9-7-5-6-8-10(9)16-11/h5-8H,3-4H2,1-2H3
InChI Key:
LFMQNMXVVXHZCC-UHFFFAOYSA-N
SMILES:
CCN(C(=S)Sc1nc2c(s1)cccc2)CC
EC Number:
202-408-6
UNII:
19V77729YZ
NSC Number:
4035
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.438g/mol
Monoisotopic Mass:
282.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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