CAS
94634-99-8 Purity
96%
94634-99-8 Purity
96%
Inquiry Basket
{[3-Cyano-4-(2-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio}acetic acid
CAS
94640-13-8
Catalog Number
ACM94640138
Category
Other Products
Molecular Weight
314.359
Molecular Formula
C16H14N2O3S
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
ZINC03152460, CID7038251, 94640-13-8
IUPAC Name
2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
InChI Key
QTISFWVNCSCDDO-UHFFFAOYSA-M
Boiling Point
531.7ºC at 760mmHg
Flash Point
275.4ºC
Density
1.41g/cm³
Exact Mass
314.07300
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound {[3-Cyano-4-(2-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio}acetic acid?
The molecular formula is C16H14N2O3S.
What is the molecular weight of the compound?
The molecular weight is 314.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C16H14N2O3S/c17-8-11-15(13-6-3-7-21-13)10-4-1-2-5-12(10)18-16(11)22-9-14(19)20/h3,6-7H,1-2,4-5,9H2,(H,19,20).
What is the InChIKey of the compound?
The InChIKey is QTISFWVNCSCDDO-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count.
What is the exact mass of the compound?
The exact mass is 314.07251349 g/mol.
How many hydrogen bond acceptor counts are there in the compound?
There are 6 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bond counts are there in the compound?
There are 4 rotatable bond counts.
Recommended Products
CAS
946409-08-1 Purity
96%
946409-08-1 Purity
96%
CAS
946409-13-8 Purity
---
946409-13-8 Purity
---
