CAS
918524-22-8 Purity
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918524-22-8 Purity
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Diethyl-thiocarbamic acid s-butyl ester
CAS
91852-97-0
Catalog Number
ACM91852970
Category
Other Products
Molecular Weight
189.318260 [g/mol]
Molecular Formula
C9H19NOS
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Specification
Synonyms
CID185136, 1-Butan-2-yloxy-N,N-diethyl-methanethioamide, Platinum, (1,2-cyclohexanediammine-N,N)(2-nitro-1,3-benzenedicarboxylato(2-)-O1)-, 91852-97-0
IUPAC Name
O-butan-2-yl N,N-diethylcarbamothioate
Canonical SMILES
CCCCSC(=O)N(CC)CC
InChI Key
HSTIQRYGALJPGS-UHFFFAOYSA-N
Boiling Point
145 °C (16mmHg)
Density
0.968±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
189.11900
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Diethyl-thiocarbamic acid s-butyl ester?
The molecular formula is C9H19NOS.
What is the molecular weight of Diethyl-thiocarbamic acid s-butyl ester?
The molecular weight is 189.32 g/mol.
What is the IUPAC Name of Diethyl-thiocarbamic acid s-butyl ester?
The IUPAC Name is S-butyl N,N-diethylcarbamothioate.
What is the InChI of Diethyl-thiocarbamic acid s-butyl ester?
The InChI is InChI=1S/C9H19NOS/c1-4-7-8-12-9(11)10(5-2)6-3/h4-8H2,1-3H3.
What is the InChIKey of Diethyl-thiocarbamic acid s-butyl ester?
The InChIKey is LSBQREWKEAYTRU-UHFFFAOYSA-N.
What is the Canonical SMILES of Diethyl-thiocarbamic acid s-butyl ester?
The Canonical SMILES is CCCCSC(=O)N(CC)CC.
What is the XLogP3 value of Diethyl-thiocarbamic acid s-butyl ester?
The XLogP3 value is 3.3.
How many hydrogen bond donor counts are there in Diethyl-thiocarbamic acid s-butyl ester?
There are 0 hydrogen bond donor counts.
What is the topological polar surface area of Diethyl-thiocarbamic acid s-butyl ester?
The topological polar surface area is 45.6 Ų.
Is Diethyl-thiocarbamic acid s-butyl ester a canonicalized compound?
Yes, it is a canonicalized compound.
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CAS
918525-02-7 Purity
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918525-02-7 Purity
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