1,4-Thiazepin-5(2H)-one,6-aminotetrahydro-,(6R)-

Name: 1,4-Thiazepin-5(2H)-one,6-aminotetrahydro-,(6R)-
SKU: ACM92814421
Rating: 5 (1 reviews)

CAS

92814-42-1

Catalog Number

ACM92814421

Category

Other Products

Molecular Weight

146.2107

Molecular Formula

C₅H₁₀N₂OS

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92814-42-1
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Specification

Synonyms

(R)-6-amino-1,4-thiazepan-5-one;1,4-Thiazepin-5(2H)-one,6-aminotetrahydro-,(6R)-(9CI)

IUPAC Name

(6R)-6-amino-1,4-thiazepan-5-one

Canonical SMILES

C1CSCC(C(=O)N1)N

InChI Key

NGIAYEBFKTVVQJ-BYPYZUCNSA-N

Boiling Point

389.667ºC at 760 mmHg

Flash Point

189.464ºC

Density

1.181g/cm³

Exact Mass

146.05100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 1,4-Thiazepin-5(2H)-one,6-aminotetrahydro-,(6R)?

The molecular formula is C5H10N2OS.

When was 1,4-Thiazepin-5(2H)-one,6-aminotetrahydro-,(6R) first created in PubChem?

It was first created on 2009-05-27.

What is the molecular weight of 1,4-Thiazepin-5(2H)-one,6-aminotetrahydro-,(6R)?

The molecular weight is 146.21 g/mol.

What are some synonyms for 1,4-Thiazepin-5(2H)-one,6-aminotetrahydro-,(6R)?

Some synonyms include (R)-6-Amino-1,4-thiazepan-5-one, 92814-42-1, and SCHEMBL5636852.

What is the InChIKey for 1,4-Thiazepin-5(2H)-one,6-aminotetrahydro-,(6R)?

The InChIKey is NGIAYEBFKTVVQJ-BYPYZUCNSA-N.

How many hydrogen bond donor counts does 1,4-Thiazepin-5(2H)-one,6-aminotetrahydro-,(6R) have?

It has 2 hydrogen bond donor counts.

What is the XLogP3-AA value for 1,4-Thiazepin-5(2H)-one,6-aminotetrahydro-,(6R)?

The XLogP3-AA value is -0.9.

How many rotatable bond counts does 1,4-Thiazepin-5(2H)-one,6-aminotetrahydro-,(6R) have?

It has 0 rotatable bond counts.

What is the topological polar surface area of 1,4-Thiazepin-5(2H)-one,6-aminotetrahydro-,(6R)?

The topological polar surface area is 80.4 Å².

Is 1,4-Thiazepin-5(2H)-one,6-aminotetrahydro-,(6R) canonicalized as a compound in PubChem?

Yes, it is canonicalized as a compound in PubChem.

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