Text Search
Structure Search

1-ethyl-2-(isothiocyanatomethyl)pyrrolidine

1-ethyl-2-(isothiocyanatomethyl)pyrrolidine

Formula: C8H14N2S

SMILES: CCN1CCCC1CN=C=S

IUPAC: 1-ethyl-2-(isothiocyanatomethyl)pyrrolidine

InChI: InChI=1/C8H14N2S/c1-2-10-5-3-4-8(10)6-9-7-11/h8H,2-6H2,1H3

Composition: C (56.43%), H (8.29%), N (16.45%), S (18.83%)

Molar Mass: 170.27

Atom Count: 25

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 170.087769633
Formal Charge 0
FSP3 0.87
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YXKNCCRAEIDNCW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.31
Topological Polar Surface Area 15.6
Polarizability 20.15
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C8H14N2S Quote Only