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130878-55-6 | Carbonochloridimidothioic acid, cyclopropyl-, phenyl ester (9CI)
CAS No: 130878-55-6 Catalog No: AG000V26 MDL No:
Product Description
Catalog Number:
AG000V26
Chemical Name:
Carbonochloridimidothioic acid, cyclopropyl-, phenyl ester (9CI)
CAS Number:
130878-55-6
Molecular Formula:
C10H10ClNS
Molecular Weight:
211.7111
IUPAC Name:
N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride
InChI:
InChI=1S/C10H10ClNS/c11-10(12-8-6-7-8)13-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChI Key:
IPSIPBNUYSVVCI-UHFFFAOYSA-N
SMILES:
ClC(=NC1CC1)Sc1ccccc1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.707g/mol
Monoisotopic Mass:
211.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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