CAS: 3268-79-9
Название: chloromethyl thiocyanate
SMILES:
N#CSCClMolecular Processing
Molecular formula
C2H2ClNS
Molecular weight
107.57
Exact mass
106.9596
XLogP
1.4
TPSA
23.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
5
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
23.92
Supplementary Information
InChIKey: UXUCVNXUWOLPRU-UHFFFAOYSA-N
Синонимы
Chloromethyl thiocyanate3268-79-9Thiocyanic acid, chloromethyl esterChloromethylthiocyanogenEINECS 221-883-0NSC 96962BRN 1098487DTXSID801863512-03-00-00124 (Beilstein Handbook Reference)RefChem:189485DTXCID90108842221-883-0InChI=1/C2H2ClNS/c3-1-5-2-4/h1HChloromethylthiocyanate[(Chloromethyl)sulfanyl]carbonitrilechloro(thiocyanato)methaneThiocyanic acid chloromethyl esterchloro-methyl thiocyanateMFCD00001831CQ59MX5PRKNSC-96962C2H2ClNSchloromethyithiocyanateUNII-CQ59MX5PRK(Chloromethyl)thiocyanogenSCHEMBL826106Chloromethyl thiocyanate, 97%CHEBI:192414NSC96962BBL027358
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