CAS 123-90-0 Thiomorpholine (HCID 67164)

Overview

Thiomorpholine is a saturated organic heteromonocyclic parent that is an analogue of morpholine where the oxygen atom is replaced by sulfur. It is a saturated organic heteromonocyclic parent and a member of thiomorpholines.

Names & identifiers

Preferred name: Thiomorpholine
IUPAC: thiomorpholine
English name: Thiomorpholine
Molecular formula: C4H9NS
Molecular weight: 103.19

Names & synonyms

Thiomorpholine123-90-0Thiamorpholine3A8R61G6QVCHEBI:36392DTXSID80153826RefChem:189565DTXCID7076317204-660-2ParathiazanThiazolidinane1,4-Thiazan

Show more names

thiazinaneTETRAHYDRO-2H-1,4-THIAZINEThiomorphoLhiomorpholine

Tetrahydro-1,4-thiazine1,4-ThiazaneMFCD000059741-Thia-4-azacyclohexane1,4-Thiazine, tetrahydro-tetrahydro-4h-1,4-thiazineCHEMBL2333141MFCD03458715

Database identifiers

CAS: 123-90-0
PubChem CID: 67164
DTXSID: DTXSID80153826
ChEMBL: CHEMBL2333141
ChEBI: CHEBI:36392
UNII: 3A8R61G6QV
EC Number: 204-660-2
Nikkaji: J5.545J

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 34.5

Experimental & physicochemical properties

SpringerMaterials PropertiesCoriolis coupling

Dissociation Constants9

Physicochemical properties

Melting point: 166 · 166-168
Boiling point: 169 °C · 169 °C (lit.)
Density: 1.026 g/mL · 1.026 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.538(lit.)
Flash point: 140 °F · 140 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: organic solvents: miscible(lit.)
form: clear liquid
pka: 9.14 · 9.14±0.20(Predicted)
color: Colorless to Light yellow to Light orange
Water Solubility: Miscible with waterMiscible with water and organic solvents.
Sensitive: Air Sensitive
Merck: 14 · 14,9300
BRN: 102550 · 102550
InChI: 1S/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2
InChIKey: BRNULMACUQOKMR-UHFFFAOYSA-N
SMILES: C1CSCCN1
CAS DataBase Reference: 123 · 123-90-0(CAS DataBase Reference)
FDA UNII: 3 A8R61G6QV · 3A8R61G6QV
NIST Chemistry Reference: Thiomorpholine(123-90-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P501
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 34 · 34-37-36/37/38-R37-R34
Safety Statements: 26 · 26-36/37/39-45-36-S45-S36/37/39-S26
RIDADR: 3267 · UN 3267 8/PG 3
WGK Germany: 3 · 3
F: 10 · 10-13-23
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29349990 · 29349990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F: 10-13-23
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3267 8/PG 3
hs_code: 29349990
risk_code: 34-37-36/37/38-R37-R34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-36-S45-S36/37/39-S26
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P501

Chemistry & industry

Applications · 3 items

UsesOrganic synthesis.

UsesThiomorpholine is used as an intermediate for blonanserin. It is used in the preparation of pyrrole derivatives, which acts as a antimycobacterial agent. It is further involved in the hypocholesterolemic activity.

General DescriptionThiomorpholine forms complexes with Cu(II), Pt(II) and Ni(II) salts and their catalytic activity has been investigated.

Upstream & downstream products

Upstream raw materials

Downstream products

N-Morpholinothio Phthaldamide Thiomorpholine-1,1-dioxide 4-(thiomorpholin-4-yl)benzonitrile 4-(4-Bromobenzyl)thiomorpholine N-(2-Hydroxypropyl) thiomorpholine 4-Methylthiomorpholine 4-(4-Bromophenyl)Thiomorpholine

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Additional notes

DefinitionChEBI: A saturated organic heteromonocyclic parent that is an analogue of morpholine where the oxygen atom is replaced by sulfur.

Related reactions

639 records

New reaction record

HRID 4018As reactantuspto-grants-1988_02

HRID 4076As reactantuspto-grants-1988_02

HRID 11503As reactantuspto-grants-2006_08

HRID 11504As reactantuspto-grants-2006_08

HRID 12862As reactantuspto-grants-2010_06

HRID 21054As reactantuspto-grants-2010_06

HRID 22642As reactantuspto-grants-2005_02

HRID 24706As reactantuspto-grants-2005_02

Compound notes

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Basic information